Single-crystal structure refinement of NaTiSi₂O₆ clinopyroxene at low temperatures (298 < T < 100 K)

The alkali-metal clinopyroxene NaTi³⁺Si₂O₆, one of the rare compounds with trivalent titanium, was synthesized at high temperature/high pressure and subsequently investigated by single-crystal X-ray diffraction methods between 298 and 100 K. One main difference between the high- and the low-temperature form is the sudden appearance of two different Ti³⁺—Ti³⁺ interatomic distances within the infinite chain of the TiO₆ octahedra just below 197 K. This change can be seen as direct evidence for the formation of Ti—Ti singlet pairs in the low-temperature phase. Mean Ti—O bond lengths smoothly decrease with decreasing temperature and the phase transition is associated with a slight jump in the Ti—O bond length. The break in symmetry, however, causes distinct variations, especially with respect to the two Ti—O_apex bond lengths, but also with respect to the four Ti—O bonds in the equatorial plane of the octahedron. The TiO₆ octahedron appears to be stretched in the chain direction with a slightly larger elongation in the P low-temperature phase compared with the C2/c high-temperature phase. Polyhedral distortion parameters such as bond-length distortion and octahedral angle variance suggest the TiO₆ octahedron in P to be closer to the geometry of an ideal octahedron than in C2/c. Mean Na—O bond lengths decrease with decreasing temperature and the variations in individual Na—O bond lengths are the result of variations in the geometry of the octahedral site. The tetrahedral site acts as a rigid unit, which does not show pronounced changes upon cooling and through the phase transitions. There are neither large changes in bond lengths and angles nor in polyhedral distortion parameters, for the tetrahedral site, when they are plotted. In contrast with the C2/c → P2₁/c phase transition, found especially in LiMSi₂O₆ clinopyroxenes, no very large variations are found for the tetrahedral bridging angle. Thus, it is concluded that the main factor inducing the phase transition and controlling the structural variations is the M1 octahedral site.

Computing details

Data collection: STOE X-AREA for 298, 260, 240, 220, 210, 200, 190, 180, 170, 160, 150, 130, 110, 100. Cell refinement: STOE X-AREA for 298, 260, 240, 220, 210, 200, 190, 180, 170, 160, 150, 130, 110, 100. Data reduction: STOE X-AREA for 298, 260, 240, 220, 210, 200, 190, 180, 170, 160, 150, 130, 110, 100. Program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a) for 298, 260, 240, 220, 210, 200, 190, 180, 170, 160, 150, 130, 110, 100. Program(s) used to refine structure: SHELXL97 (sheldrick, 1997b) for 298, 260, 240, 220, 210, 200, 190, 180, 170, 160, 150, 130, 110, 100; SHELXL97 (Sheldrick, 1997) for 215, 140.

(298)

Crystal data

O6NaSi2Ti	F(000) = 436
Mr = 223.07	Dx = 3.385 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 9.700 (3) Å	Cell parameters from 2872 reflections
b = 8.8833 (19) Å	θ = 2.1–32.3°
c = 5.3059 (17) Å	µ = 2.55 mm^−1
β = 106.75 (2)°	T = 298 K
V = 437.8 (2) Å^3	Prismatic, blue
Z = 4	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	625 reflections with > 2σ(i)
rotation method scans	Rint = 0.026
Absorption correction: empirical (using intensity measurements) via equivalents	θmax = 31.9°, θmin = 3.2°
Tmin = 0.616, Tmax = 0.724	h = −11→13
2041 measured reflections	k = −11→13
709 independent reflections	l = −7→7

Refinement

Refinement on f^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(fo^2) + (0.0279p)^2 + 0.1441p] where p = (fo^2 + 2fc^2)/3
R[F^2 > 2σ(F^2)] = 0.019	(Δ/σ)max < 0.001
wR(F^2) = 0.047	Δρmax = 0.44 e Å^−3
S = 1.07	Δρmin = −0.51 e Å^−3
709 reflections	Extinction correction: shelxl, fc^*=kfc[1+0.001xfc^2λ^3/sin(2θ)]^-1/4
48 parameters	Extinction coefficient: 0.0248 (18)

Special details

Geometry. all e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. the cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. an approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
NA	0	0.30176 (8)	0.25	0.01507 (16)
Ti	0	0.90184 (3)	0.25	0.00500 (8)
Si	0.29197 (3)	0.08903 (3)	0.24059 (5)	0.00451 (8)
O1	0.11697 (9)	0.07920 (9)	0.14561 (15)	0.00634 (15)
O2	0.36078 (10)	0.25273 (10)	0.30335 (15)	0.00895 (17)
O3	0.35188 (9)	0.00785 (10)	0.01511 (14)	0.00794 (16)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
NA	0.0191 (4)	0.0110 (3)	0.0112 (3)	0	−0.0016 (3)	0
Ti	0.00481 (14)	0.00486 (13)	0.00487 (12)	0	0.00064 (9)	0
Si	0.00447 (16)	0.00556 (14)	0.00329 (13)	−0.00052 (9)	0.00077 (10)	−0.00021 (8)
O1	0.0052 (4)	0.0082 (4)	0.0052 (3)	−0.0004 (3)	0.0008 (3)	0.0004 (2)
O2	0.0098 (4)	0.0081 (4)	0.0089 (3)	−0.0029 (3)	0.0026 (3)	−0.0008 (2)
O3	0.0068 (4)	0.0109 (4)	0.0059 (3)	−0.0001 (3)	0.0015 (2)	−0.0026 (2)

Geometric parameters (Å, º)

NA—O2^i	2.4144 (11)	Ti—Ti^xiii	3.1748 (8)
NA—O2^ii	2.4144 (11)	Ti—Ti^xiv	3.1748 (8)
NA—O1	2.4218 (11)	Ti—NA^viii	3.2108 (9)
NA—O1^iii	2.4218 (11)	Ti—NA^ix	3.2108 (8)
NA—O3^iv	2.4365 (11)	Ti—NA^xi	3.5526 (11)
NA—O3^v	2.4365 (11)	Si—O2	1.5947 (10)
NA—O3^vi	2.8405 (11)	Si—O1	1.6278 (11)
NA—O3^vii	2.8405 (11)	Si—O3	1.6400 (9)
NA—Si^ii	3.0288 (10)	Si—O3^xv	1.6468 (9)
NA—Si^i	3.0288 (10)	Si—NA^ii	3.0288 (10)
NA—Ti^viii	3.2108 (8)	Si—NA^xvi	3.2447 (9)
NA—Ti^ix	3.2108 (8)	O1—Ti^viii	2.0853 (11)
Ti—O2^v	1.9694 (10)	O1—Ti^xvii	2.1068 (9)
Ti—O2^iv	1.9694 (10)	O2—Ti^xvi	1.9694 (10)
Ti—O1^x	2.0853 (11)	O2—NA^ii	2.4144 (11)
Ti—O1^viii	2.0853 (11)	O3—Si^xviii	1.6468 (9)
Ti—O1^xi	2.1068 (9)	O3—NA^xvi	2.4365 (11)
Ti—O1^xii	2.1068 (9)	O3—NA^vi	2.8405 (11)
O2^i—NA—O2^ii	156.87 (5)	O1^viii—Ti—O1^xii	91.51 (3)
O2^i—NA—O1	77.18 (3)	O1^xi—Ti—O1^xii	83.19 (5)
O2^ii—NA—O1	83.94 (4)	O2^v—Ti—Ti^xiii	94.83 (3)
O2^i—NA—O1^iii	83.94 (4)	O2^iv—Ti—Ti^xiii	130.90 (3)
O2^ii—NA—O1^iii	77.18 (3)	O1^x—Ti—Ti^xiii	41.03 (3)
O1—NA—O1^iii	70.56 (5)	O1^viii—Ti—Ti^xiii	131.74 (3)
O2^i—NA—O3^iv	137.16 (4)	O1^xi—Ti—Ti^xiii	86.48 (3)
O2^ii—NA—O3^iv	64.41 (3)	O1^xii—Ti—Ti^xiii	40.52 (3)
O1—NA—O3^iv	118.97 (3)	O2^v—Ti—Ti^xiv	130.90 (3)
O1^iii—NA—O3^iv	137.94 (3)	O2^iv—Ti—Ti^xiv	94.83 (3)
O2^i—NA—O3^v	64.41 (3)	O1^x—Ti—Ti^xiv	131.74 (3)
O2^ii—NA—O3^v	137.16 (4)	O1^viii—Ti—Ti^xiv	41.03 (3)
O1—NA—O3^v	137.94 (3)	O1^xi—Ti—Ti^xiv	40.52 (3)
O1^iii—NA—O3^v	118.97 (3)	O1^xii—Ti—Ti^xiv	86.48 (3)
O3^iv—NA—O3^v	82.58 (5)	Ti^xiii—Ti—Ti^xiv	113.36 (3)
O2^i—NA—O3^vi	81.54 (3)	O2^v—Ti—NA^viii	84.45 (3)
O2^ii—NA—O3^vi	112.70 (3)	O2^iv—Ti—NA^viii	48.63 (3)
O1—NA—O3^vi	92.04 (3)	O1^x—Ti—NA^viii	138.38 (3)
O1^iii—NA—O3^vi	159.48 (3)	O1^viii—Ti—NA^viii	48.96 (3)
O3^iv—NA—O3^vi	59.87 (3)	O1^xi—Ti—NA^viii	94.35 (3)
O3^v—NA—O3^vi	66.87 (4)	O1^xii—Ti—NA^viii	140.06 (3)
O2^i—NA—O3^vii	112.70 (3)	Ti^xiii—Ti—NA^viii	179.035 (15)
O2^ii—NA—O3^vii	81.54 (3)	Ti^xiv—Ti—NA^viii	67.60 (2)
O1—NA—O3^vii	159.48 (3)	O2^v—Ti—NA^ix	48.63 (3)
O1^iii—NA—O3^vii	92.04 (3)	O2^iv—Ti—NA^ix	84.45 (3)
O3^iv—NA—O3^vii	66.87 (4)	O1^x—Ti—NA^ix	48.96 (3)
O3^v—NA—O3^vii	59.87 (3)	O1^viii—Ti—NA^ix	138.38 (3)
O3^vi—NA—O3^vii	106.91 (5)	O1^xi—Ti—NA^ix	140.06 (3)
O2^i—NA—Si^ii	168.63 (3)	O1^xii—Ti—NA^ix	94.35 (3)
O2^ii—NA—Si^ii	31.58 (2)	Ti^xiii—Ti—NA^ix	67.60 (2)
O1—NA—Si^ii	103.30 (3)	Ti^xiv—Ti—NA^ix	179.035 (15)
O1^iii—NA—Si^ii	107.03 (3)	NA^viii—Ti—NA^ix	111.43 (3)
O3^iv—NA—Si^ii	32.86 (2)	O2^v—Ti—NA^xi	132.27 (3)
O3^v—NA—Si^ii	111.02 (4)	O2^iv—Ti—NA^xi	132.27 (3)
O3^vi—NA—Si^ii	87.09 (3)	O1^x—Ti—NA^xi	85.37 (2)
O3^vii—NA—Si^ii	70.69 (3)	O1^viii—Ti—NA^xi	85.37 (2)
O2^i—NA—Si^i	31.58 (2)	O1^xi—Ti—NA^xi	41.60 (3)
O2^ii—NA—Si^i	168.63 (3)	O1^xii—Ti—NA^xi	41.60 (3)
O1—NA—Si^i	107.03 (3)	Ti^xiii—Ti—NA^xi	56.681 (13)
O1^iii—NA—Si^i	103.30 (3)	Ti^xiv—Ti—NA^xi	56.681 (13)
O3^iv—NA—Si^i	111.02 (4)	NA^viii—Ti—NA^xi	124.284 (15)
O3^v—NA—Si^i	32.86 (2)	NA^ix—Ti—NA^xi	124.284 (15)
O3^vi—NA—Si^i	70.69 (3)	O2—Si—O1	116.73 (5)
O3^vii—NA—Si^i	87.09 (3)	O2—Si—O3	109.78 (5)
Si^ii—NA—Si^i	142.64 (3)	O1—Si—O3	107.92 (5)
O2^i—NA—Ti^viii	37.74 (2)	O2—Si—O3^xv	105.79 (5)
O2^ii—NA—Ti^viii	124.39 (4)	O1—Si—O3^xv	108.44 (5)
O1—NA—Ti^viii	40.50 (2)	O3—Si—O3^xv	107.85 (4)
O1^iii—NA—Ti^viii	80.83 (3)	O2—Si—NA^ii	52.45 (3)
O3^iv—NA—Ti^viii	134.86 (2)	O1—Si—NA^ii	131.33 (4)
O3^v—NA—Ti^viii	98.11 (3)	O3—Si—NA^ii	120.45 (4)
O3^vi—NA—Ti^viii	78.80 (2)	O3^xv—Si—NA^ii	53.39 (4)
O3^vii—NA—Ti^viii	149.887 (19)	O2—Si—NA^xvi	119.54 (4)
Si^ii—NA—Ti^viii	139.384 (18)	O1—Si—NA^xvi	123.43 (3)
Si^i—NA—Ti^viii	66.53 (2)	O3—Si—NA^xvi	46.83 (3)
O2^i—NA—Ti^ix	124.39 (4)	O3^xv—Si—NA^xvi	61.06 (4)
O2^ii—NA—Ti^ix	37.74 (2)	NA^ii—Si—NA^xvi	89.25 (3)
O1—NA—Ti^ix	80.83 (3)	O2—Si—NA	77.96 (4)
O1^iii—NA—Ti^ix	40.50 (2)	O1—Si—NA	40.49 (3)
O3^iv—NA—Ti^ix	98.11 (3)	O3—Si—NA	136.32 (3)
O3^v—NA—Ti^ix	134.86 (2)	O3^xv—Si—NA	111.02 (4)
O3^vi—NA—Ti^ix	149.887 (19)	NA^ii—Si—NA	98.72 (2)
O3^vii—NA—Ti^ix	78.80 (2)	NA^xvi—Si—NA	161.64 (2)
Si^ii—NA—Ti^ix	66.53 (2)	Si—O1—Ti^viii	121.57 (5)
Si^i—NA—Ti^ix	139.384 (18)	Si—O1—Ti^xvii	123.45 (5)
Ti^viii—NA—Ti^ix	111.43 (3)	Ti^viii—O1—Ti^xvii	98.46 (4)
O2^v—Ti—O2^iv	95.47 (6)	Si—O1—NA	113.63 (4)
O2^v—Ti—O1^x	96.10 (4)	Ti^viii—O1—NA	90.54 (3)
O2^iv—Ti—O1^x	90.13 (4)	Ti^xvii—O1—NA	103.13 (4)
O2^v—Ti—O1^viii	90.13 (4)	Si—O2—Ti^xvi	147.82 (6)
O2^iv—Ti—O1^viii	96.10 (4)	Si—O2—NA^ii	95.98 (4)
O1^x—Ti—O1^viii	170.74 (5)	Ti^xvi—O2—NA^ii	93.63 (4)
O2^v—Ti—O1^xi	169.83 (3)	Si—O3—Si^xviii	140.01 (6)
O2^iv—Ti—O1^xi	91.24 (4)	Si—O3—NA^xvi	103.76 (4)
O1^x—Ti—O1^xi	91.51 (3)	Si^xviii—O3—NA^xvi	93.75 (5)
O1^viii—Ti—O1^xi	81.54 (4)	Si—O3—NA^vi	115.82 (5)
O2^v—Ti—O1^xii	91.24 (4)	Si^xviii—O3—NA^vi	88.45 (4)
O2^iv—Ti—O1^xii	169.83 (3)	NA^xvi—O3—NA^vi	113.13 (4)
O1^x—Ti—O1^xii	81.54 (4)

Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (ii) −x+1/2, −y+1/2, −z+1; (iii) −x, y, −z+1/2; (iv) −x+1/2, y+1/2, −z+1/2; (v) x−1/2, y+1/2, z; (vi) −x+1/2, −y+1/2, −z; (vii) x−1/2, −y+1/2, z+1/2; (viii) −x, −y+1, −z; (ix) −x, −y+1, −z+1; (x) x, −y+1, z+1/2; (xi) x, y+1, z; (xii) −x, y+1, −z+1/2; (xiii) −x, −y+2, −z+1; (xiv) −x, −y+2, −z; (xv) x, −y, z+1/2; (xvi) x+1/2, y−1/2, z; (xvii) x, y−1, z; (xviii) x, −y, z−1/2.

(260)

Crystal data

O6NaSi2Ti	F(000) = 436
Mr = 223.07	Dx = 3.387 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 9.702 (3) Å	Cell parameters from 2950 reflections
b = 8.8798 (17) Å	θ = 2.1–32.3°
c = 5.3045 (15) Å	µ = 2.55 mm^−1
β = 106.83 (2)°	T = 260 K
V = 437.39 (19) Å^3	Prismatic, blue
Z = 4	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	633 reflections with I > 2σ(I)
rotation method scans	Rint = 0.026
Absorption correction: empirical (using intensity measurements) via equivalents	θmax = 32.0°, θmin = 3.2°
Tmin = 0.642, Tmax = 0.729	h = −13→11
2033 measured reflections	k = −11→13
710 independent reflections	l = −7→7

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0226P)^2 + 0.165P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.018	(Δ/σ)max < 0.001
wR(F^2) = 0.045	Δρmax = 0.43 e Å^−3
S = 1.15	Δρmin = −0.43 e Å^−3
710 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
48 parameters	Extinction coefficient: 0.0238 (14)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na	0	0.30159 (8)	0.25	0.01341 (15)
Ti	0	0.90200 (3)	0.25	0.00440 (8)
Si	0.29200 (3)	0.08905 (3)	0.24072 (5)	0.00396 (8)
O1	0.11694 (9)	0.07925 (9)	0.14556 (15)	0.00568 (15)
O2	0.36092 (10)	0.25294 (9)	0.30388 (15)	0.00788 (16)
O3	0.35200 (9)	0.00796 (10)	0.01526 (15)	0.00709 (16)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na	0.0167 (4)	0.0101 (3)	0.0103 (3)	0	−0.0010 (3)	0
Ti	0.00373 (14)	0.00450 (12)	0.00464 (12)	0	0.00069 (9)	0
Si	0.00353 (15)	0.00511 (13)	0.00321 (13)	−0.00051 (9)	0.00091 (10)	−0.00015 (8)
O1	0.0044 (4)	0.0077 (3)	0.0046 (3)	−0.0004 (3)	0.0008 (3)	0.0004 (2)
O2	0.0084 (4)	0.0071 (4)	0.0082 (3)	−0.0023 (3)	0.0025 (3)	−0.0007 (2)
O3	0.0057 (4)	0.0096 (4)	0.0059 (3)	−0.0002 (3)	0.0016 (3)	−0.0024 (2)

Geometric parameters (Å, º)

Na—O2^i	2.4095 (11)	Ti—Ti^xiii	3.1723 (7)
Na—O2^ii	2.4095 (11)	Ti—Ti^xiv	3.1723 (7)
Na—O1^iii	2.4200 (11)	Ti—Na^viii	3.2098 (8)
Na—O1	2.4200 (11)	Ti—Na^ix	3.2098 (8)
Na—O3^iv	2.4361 (11)	Ti—Na^xii	3.5483 (10)
Na—O3^v	2.4361 (11)	Si—O2	1.5961 (9)
Na—O3^vi	2.8411 (11)	Si—O1	1.6279 (10)
Na—O3^vii	2.8411 (11)	Si—O3	1.6404 (9)
Na—Si^ii	3.0258 (10)	Si—O3^xv	1.6464 (9)
Na—Si^i	3.0258 (10)	Si—Na^ii	3.0258 (10)
Na—Ti^viii	3.2098 (8)	Si—Na^xvi	3.2454 (8)
Na—Ti^ix	3.2098 (8)	O1—Ti^viii	2.0830 (10)
Ti—O2^v	1.9692 (9)	O1—Ti^xvii	2.1061 (9)
Ti—O2^iv	1.9692 (9)	O2—Ti^xvi	1.9692 (9)
Ti—O1^viii	2.0830 (10)	O2—Na^ii	2.4095 (11)
Ti—O1^x	2.0830 (10)	O3—Si^xviii	1.6464 (9)
Ti—O1^xi	2.1061 (9)	O3—Na^xvi	2.4361 (11)
Ti—O1^xii	2.1061 (9)	O3—Na^vi	2.8411 (11)
O2^i—Na—O2^ii	156.81 (5)	O1^x—Ti—O1^xii	91.57 (3)
O2^i—Na—O1^iii	83.95 (3)	O1^xi—Ti—O1^xii	83.28 (5)
O2^ii—Na—O1^iii	77.15 (3)	O2^v—Ti—Ti^xiii	94.68 (3)
O2^i—Na—O1	77.15 (3)	O2^iv—Ti—Ti^xiii	131.00 (3)
O2^ii—Na—O1	83.95 (3)	O1^viii—Ti—Ti^xiii	131.79 (3)
O1^iii—Na—O1	70.65 (5)	O1^x—Ti—Ti^xiii	41.05 (3)
O2^i—Na—O3^iv	137.11 (4)	O1^xi—Ti—Ti^xiii	40.50 (2)
O2^ii—Na—O3^iv	64.51 (3)	O1^xii—Ti—Ti^xiii	86.58 (3)
O1^iii—Na—O3^iv	137.96 (3)	O2^v—Ti—Ti^xiv	131.00 (3)
O1—Na—O3^iv	118.99 (3)	O2^iv—Ti—Ti^xiv	94.68 (3)
O2^i—Na—O3^v	64.51 (3)	O1^viii—Ti—Ti^xiv	41.05 (3)
O2^ii—Na—O3^v	137.11 (4)	O1^x—Ti—Ti^xiv	131.79 (3)
O1^iii—Na—O3^v	118.99 (3)	O1^xi—Ti—Ti^xiv	86.58 (3)
O1—Na—O3^v	137.96 (3)	O1^xii—Ti—Ti^xiv	40.50 (2)
O3^iv—Na—O3^v	82.43 (5)	Ti^xiii—Ti—Ti^xiv	113.45 (2)
O2^i—Na—O3^vi	81.54 (3)	O2^v—Ti—Na^viii	84.57 (3)
O2^ii—Na—O3^vi	112.73 (3)	O2^iv—Ti—Na^viii	48.51 (3)
O1^iii—Na—O3^vi	159.51 (3)	O1^viii—Ti—Na^viii	48.93 (3)
O1—Na—O3^vi	91.98 (3)	O1^x—Ti—Na^viii	138.34 (3)
O3^iv—Na—O3^vi	59.85 (2)	O1^xi—Ti—Na^viii	140.10 (2)
O3^v—Na—O3^vi	66.84 (4)	O1^xii—Ti—Na^viii	94.28 (3)
O2^i—Na—O3^vii	112.73 (3)	Ti^xiii—Ti—Na^viii	178.995 (15)
O2^ii—Na—O3^vii	81.54 (3)	Ti^xiv—Ti—Na^viii	67.55 (2)
O1^iii—Na—O3^vii	91.98 (3)	O2^v—Ti—Na^ix	48.51 (3)
O1—Na—O3^vii	159.51 (3)	O2^iv—Ti—Na^ix	84.57 (3)
O3^iv—Na—O3^vii	66.84 (4)	O1^viii—Ti—Na^ix	138.34 (3)
O3^v—Na—O3^vii	59.85 (2)	O1^x—Ti—Na^ix	48.93 (3)
O3^vi—Na—O3^vii	106.94 (5)	O1^xi—Ti—Na^ix	94.28 (3)
O2^i—Na—Si^ii	168.62 (3)	O1^xii—Ti—Na^ix	140.10 (2)
O2^ii—Na—Si^ii	31.64 (2)	Ti^xiii—Ti—Na^ix	67.55 (2)
O1^iii—Na—Si^ii	107.04 (3)	Ti^xiv—Ti—Na^ix	178.995 (15)
O1—Na—Si^ii	103.33 (3)	Na^viii—Ti—Na^ix	111.44 (3)
O3^iv—Na—Si^ii	32.89 (2)	O2^v—Ti—Na^xii	132.23 (3)
O3^v—Na—Si^ii	110.91 (3)	O2^iv—Ti—Na^xii	132.23 (3)
O3^vi—Na—Si^ii	87.08 (3)	O1^viii—Ti—Na^xii	85.41 (2)
O3^vii—Na—Si^ii	70.66 (3)	O1^x—Ti—Na^xii	85.41 (2)
O2^i—Na—Si^i	31.64 (2)	O1^xi—Ti—Na^xii	41.64 (3)
O2^ii—Na—Si^i	168.62 (3)	O1^xii—Ti—Na^xii	41.64 (3)
O1^iii—Na—Si^i	103.33 (3)	Ti^xiii—Ti—Na^xii	56.726 (12)
O1—Na—Si^i	107.04 (3)	Ti^xiv—Ti—Na^xii	56.726 (12)
O3^iv—Na—Si^i	110.91 (3)	Na^viii—Ti—Na^xii	124.279 (14)
O3^v—Na—Si^i	32.89 (2)	Na^ix—Ti—Na^xii	124.279 (14)
O3^vi—Na—Si^i	70.66 (3)	O2—Si—O1	116.74 (4)
O3^vii—Na—Si^i	87.08 (3)	O2—Si—O3	109.74 (5)
Si^ii—Na—Si^i	142.56 (3)	O1—Si—O3	108.00 (5)
O2^i—Na—Ti^viii	37.75 (2)	O2—Si—O3^xv	105.79 (5)
O2^ii—Na—Ti^viii	124.36 (3)	O1—Si—O3^xv	108.43 (5)
O1^iii—Na—Ti^viii	80.90 (3)	O3—Si—O3^xv	107.82 (4)
O1—Na—Ti^viii	40.46 (2)	O2—Si—Na^ii	52.37 (3)
O3^iv—Na—Ti^viii	134.83 (2)	O1—Si—Na^ii	131.31 (4)
O3^v—Na—Ti^viii	98.19 (3)	O3—Si—Na^ii	120.40 (4)
O3^vi—Na—Ti^viii	78.76 (2)	O3^xv—Si—Na^ii	53.46 (4)
O3^vii—Na—Ti^viii	149.932 (19)	O2—Si—Na^xvi	119.54 (4)
Si^ii—Na—Ti^viii	139.366 (16)	O1—Si—Na^xvi	123.43 (3)
Si^i—Na—Ti^viii	66.585 (19)	O3—Si—Na^xvi	46.80 (3)
O2^i—Na—Ti^ix	124.36 (3)	O3^xv—Si—Na^xvi	61.06 (3)
O2^ii—Na—Ti^ix	37.75 (2)	Na^ii—Si—Na^xvi	89.31 (2)
O1^iii—Na—Ti^ix	40.46 (2)	O2—Si—Na	77.99 (4)
O1—Na—Ti^ix	80.90 (3)	O1—Si—Na	40.45 (3)
O3^iv—Na—Ti^ix	98.19 (3)	O3—Si—Na	136.37 (3)
O3^v—Na—Ti^ix	134.83 (2)	O3^xv—Si—Na	111.01 (4)
O3^vi—Na—Ti^ix	149.932 (19)	Na^ii—Si—Na	98.70 (2)
O3^vii—Na—Ti^ix	78.76 (2)	Na^xvi—Si—Na	161.60 (2)
Si^ii—Na—Ti^ix	66.586 (19)	Si—O1—Ti^viii	121.54 (5)
Si^i—Na—Ti^ix	139.366 (16)	Si—O1—Ti^xvii	123.47 (5)
Ti^viii—Na—Ti^ix	111.44 (3)	Ti^viii—O1—Ti^xvii	98.45 (4)
O2^v—Ti—O2^iv	95.53 (6)	Si—O1—Na	113.67 (4)
O2^v—Ti—O1^viii	90.21 (4)	Ti^viii—O1—Na	90.61 (3)
O2^iv—Ti—O1^viii	95.96 (4)	Ti^xvii—O1—Na	103.03 (4)
O2^v—Ti—O1^x	95.96 (4)	Si—O2—Ti^xvi	147.72 (6)
O2^iv—Ti—O1^x	90.21 (4)	Si—O2—Na^ii	95.99 (4)
O1^viii—Ti—O1^x	170.83 (5)	Ti^xvi—O2—Na^ii	93.74 (4)
O2^v—Ti—O1^xi	91.16 (4)	Si—O3—Si^xviii	139.94 (6)
O2^iv—Ti—O1^xi	169.90 (3)	Si—O3—Na^xvi	103.81 (4)
O1^viii—Ti—O1^xi	91.57 (3)	Si^xviii—O3—Na^xvi	93.65 (4)
O1^x—Ti—O1^xi	81.55 (4)	Si—O3—Na^vi	115.90 (5)
O2^v—Ti—O1^xii	169.90 (3)	Si^xviii—O3—Na^vi	88.47 (4)
O2^iv—Ti—O1^xii	91.16 (4)	Na^xvi—O3—Na^vi	113.16 (4)
O1^viii—Ti—O1^xii	81.55 (4)

Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (ii) −x+1/2, −y+1/2, −z+1; (iii) −x, y, −z+1/2; (iv) −x+1/2, y+1/2, −z+1/2; (v) x−1/2, y+1/2, z; (vi) −x+1/2, −y+1/2, −z; (vii) x−1/2, −y+1/2, z+1/2; (viii) −x, −y+1, −z; (ix) −x, −y+1, −z+1; (x) x, −y+1, z+1/2; (xi) −x, y+1, −z+1/2; (xii) x, y+1, z; (xiii) −x, −y+2, −z+1; (xiv) −x, −y+2, −z; (xv) x, −y, z+1/2; (xvi) x+1/2, y−1/2, z; (xvii) x, y−1, z; (xviii) x, −y, z−1/2.

(240)

Crystal data

O6NaSi2Ti	F(000) = 436
Mr = 223.07	Dx = 3.389 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 9.703 (3) Å	Cell parameters from 2905 reflections
b = 8.8774 (17) Å	θ = 2.1–32.3°
c = 5.3038 (15) Å	µ = 2.55 mm^−1
β = 106.85 (2)°	T = 240 K
V = 437.25 (19) Å^3	Prismatic, blue
Z = 4	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	623 reflections with I > 2σ(I)
rotation method scans	Rint = 0.025
Absorption correction: empirical (using intensity measurements) via equivalents	θmax = 32.0°, θmin = 3.2°
Tmin = 0.635, Tmax = 0.734	h = −11→13
2019 measured reflections	k = −11→13
703 independent reflections	l = −7→7

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0223P)^2 + 0.2089P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.018	(Δ/σ)max < 0.001
wR(F^2) = 0.044	Δρmax = 0.41 e Å^−3
S = 1.11	Δρmin = −0.32 e Å^−3
703 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
48 parameters	Extinction coefficient: 0.0226 (17)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na	0	0.30159 (8)	0.25	0.01269 (15)
Ti	0	0.90214 (3)	0.25	0.00437 (8)
Si	0.29202 (3)	0.08917 (3)	0.24086 (5)	0.00393 (8)
O1	0.11691 (9)	0.07933 (9)	0.14566 (15)	0.00571 (15)
O2	0.36091 (9)	0.25303 (9)	0.30389 (15)	0.00752 (16)
O3	0.35210 (9)	0.00808 (10)	0.01527 (14)	0.00689 (15)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na	0.0156 (4)	0.0098 (3)	0.0095 (3)	0	−0.0013 (2)	0
Ti	0.00398 (14)	0.00445 (12)	0.00433 (11)	0	0.00066 (9)	0
Si	0.00370 (15)	0.00484 (13)	0.00305 (12)	−0.00045 (9)	0.00069 (10)	−0.00007 (8)
O1	0.0045 (4)	0.0078 (3)	0.0044 (3)	−0.0006 (3)	0.0007 (3)	0.0000 (2)
O2	0.0083 (4)	0.0070 (3)	0.0072 (3)	−0.0025 (3)	0.0021 (3)	−0.0007 (2)
O3	0.0064 (4)	0.0092 (3)	0.0050 (3)	0.0001 (3)	0.0016 (2)	−0.0022 (2)

Geometric parameters (Å, º)

Na—O2^i	2.4091 (11)	Ti—Ti^xiii	3.1704 (7)
Na—O2^ii	2.4091 (11)	Ti—Ti^xiv	3.1704 (7)
Na—O1^iii	2.4187 (11)	Ti—Na^viii	3.2099 (8)
Na—O1	2.4187 (11)	Ti—Na^ix	3.2099 (8)
Na—O3^iv	2.4360 (11)	Ti—Na^xi	3.5461 (10)
Na—O3^v	2.4360 (11)	Si—O2	1.5952 (9)
Na—O3^vi	2.8398 (11)	Si—O1	1.6286 (10)
Na—O3^vii	2.8398 (11)	Si—O3	1.6413 (9)
Na—Si^ii	3.0242 (9)	Si—O3^xv	1.6467 (9)
Na—Si^i	3.0242 (9)	Si—Na^ii	3.0242 (9)
Na—Ti^viii	3.2099 (8)	Si—Na^xvi	3.2459 (8)
Na—Ti^ix	3.2099 (8)	O1—Ti^viii	2.0827 (10)
Ti—O2^v	1.9696 (9)	O1—Ti^xvii	2.1051 (9)
Ti—O2^iv	1.9696 (9)	O2—Ti^xvi	1.9696 (9)
Ti—O1^x	2.0827 (10)	O2—Na^ii	2.4091 (11)
Ti—O1^viii	2.0827 (10)	O3—Si^xviii	1.6467 (9)
Ti—O1^xi	2.1051 (9)	O3—Na^xvi	2.4360 (11)
Ti—O1^xii	2.1051 (9)	O3—Na^vii	2.8398 (10)
O2^i—Na—O2^ii	156.78 (5)	O1^viii—Ti—O1^xii	91.62 (3)
O2^i—Na—O1^iii	83.92 (3)	O1^xi—Ti—O1^xii	83.30 (5)
O2^ii—Na—O1^iii	77.14 (3)	O2^v—Ti—Ti^xiii	94.63 (3)
O2^i—Na—O1	77.14 (3)	O2^iv—Ti—Ti^xiii	130.99 (3)
O2^ii—Na—O1	83.92 (3)	O1^x—Ti—Ti^xiii	41.06 (2)
O1^iii—Na—O1	70.68 (5)	O1^viii—Ti—Ti^xiii	131.87 (3)
O2^i—Na—O3^iv	137.12 (4)	O1^xi—Ti—Ti^xiii	86.62 (3)
O2^ii—Na—O3^iv	64.54 (3)	O1^xii—Ti—Ti^xiii	40.53 (2)
O1^iii—Na—O3^iv	137.97 (3)	O2^v—Ti—Ti^xiv	130.99 (3)
O1—Na—O3^iv	119.00 (3)	O2^iv—Ti—Ti^xiv	94.63 (3)
O2^i—Na—O3^v	64.54 (3)	O1^x—Ti—Ti^xiv	131.87 (3)
O2^ii—Na—O3^v	137.12 (4)	O1^viii—Ti—Ti^xiv	41.06 (2)
O1^iii—Na—O3^v	119.00 (3)	O1^xi—Ti—Ti^xiv	40.53 (2)
O1—Na—O3^v	137.97 (3)	O1^xii—Ti—Ti^xiv	86.62 (3)
O3^iv—Na—O3^v	82.38 (5)	Ti^xiii—Ti—Ti^xiv	113.54 (2)
O2^i—Na—O3^vi	112.75 (3)	O2^v—Ti—Na^viii	84.57 (3)
O2^ii—Na—O3^vi	81.54 (3)	O2^iv—Ti—Na^viii	48.50 (3)
O1^iii—Na—O3^vi	91.95 (3)	O1^x—Ti—Na^viii	138.29 (3)
O1—Na—O3^vi	159.49 (3)	O1^viii—Ti—Na^viii	48.89 (3)
O3^iv—Na—O3^vi	66.83 (4)	O1^xi—Ti—Na^viii	94.29 (3)
O3^v—Na—O3^vi	59.87 (2)	O1^xii—Ti—Na^viii	140.11 (2)
O2^i—Na—O3^vii	81.54 (3)	Ti^xiii—Ti—Na^viii	178.938 (15)
O2^ii—Na—O3^vii	112.75 (3)	Ti^xiv—Ti—Na^viii	67.53 (2)
O1^iii—Na—O3^vii	159.49 (3)	O2^v—Ti—Na^ix	48.50 (3)
O1—Na—O3^vii	91.95 (3)	O2^iv—Ti—Na^ix	84.57 (3)
O3^iv—Na—O3^vii	59.87 (2)	O1^x—Ti—Na^ix	48.89 (3)
O3^v—Na—O3^vii	66.83 (4)	O1^viii—Ti—Na^ix	138.29 (3)
O3^vi—Na—O3^vii	106.98 (4)	O1^xi—Ti—Na^ix	140.11 (2)
O2^i—Na—Si^ii	168.63 (3)	O1^xii—Ti—Na^ix	94.29 (3)
O2^ii—Na—Si^ii	31.64 (2)	Ti^xiii—Ti—Na^ix	67.53 (2)
O1^iii—Na—Si^ii	107.04 (3)	Ti^xiv—Ti—Na^ix	178.938 (15)
O1—Na—Si^ii	103.30 (3)	Na^viii—Ti—Na^ix	111.41 (3)
O3^iv—Na—Si^ii	32.919 (19)	O2^v—Ti—Na^xi	132.23 (3)
O3^v—Na—Si^ii	110.91 (3)	O2^iv—Ti—Na^xi	132.23 (3)
O3^vi—Na—Si^ii	70.68 (3)	O1^x—Ti—Na^xi	85.47 (2)
O3^vii—Na—Si^ii	87.10 (3)	O1^viii—Ti—Na^xi	85.47 (2)
O2^i—Na—Si^i	31.64 (2)	O1^xi—Ti—Na^xi	41.65 (2)
O2^ii—Na—Si^i	168.63 (3)	O1^xii—Ti—Na^xi	41.65 (2)
O1^iii—Na—Si^i	103.30 (3)	Ti^xiii—Ti—Na^xi	56.768 (12)
O1—Na—Si^i	107.04 (3)	Ti^xiv—Ti—Na^xi	56.768 (12)
O3^iv—Na—Si^i	110.91 (3)	Na^viii—Ti—Na^xi	124.294 (14)
O3^v—Na—Si^i	32.919 (19)	Na^ix—Ti—Na^xi	124.294 (14)
O3^vi—Na—Si^i	87.10 (3)	O2—Si—O1	116.74 (4)
O3^vii—Na—Si^i	70.68 (3)	O2—Si—O3	109.69 (5)
Si^ii—Na—Si^i	142.59 (3)	O1—Si—O3	108.03 (5)
O2^i—Na—Ti^viii	37.75 (2)	O2—Si—O3^xv	105.86 (5)
O2^ii—Na—Ti^viii	124.32 (3)	O1—Si—O3^xv	108.43 (5)
O1^iii—Na—Ti^viii	80.89 (3)	O3—Si—O3^xv	107.75 (4)
O1—Na—Ti^viii	40.45 (2)	O2—Si—Na^ii	52.40 (3)
O3^iv—Na—Ti^viii	134.84 (2)	O1—Si—Na^ii	131.32 (3)
O3^v—Na—Ti^viii	98.21 (3)	O3—Si—Na^ii	120.36 (4)
O3^vi—Na—Ti^viii	149.947 (18)	O3^xv—Si—Na^ii	53.51 (4)
O3^vii—Na—Ti^viii	78.75 (2)	O2—Si—Na^xvi	119.55 (4)
Si^ii—Na—Ti^viii	139.338 (16)	O1—Si—Na^xvi	123.42 (3)
Si^i—Na—Ti^viii	66.595 (19)	O3—Si—Na^xvi	46.79 (3)
O2^i—Na—Ti^ix	124.32 (3)	O3^xv—Si—Na^xvi	61.00 (3)
O2^ii—Na—Ti^ix	37.75 (2)	Na^ii—Si—Na^xvi	89.30 (2)
O1^iii—Na—Ti^ix	40.45 (2)	O2—Si—Na	78.03 (4)
O1—Na—Ti^ix	80.89 (3)	O1—Si—Na	40.43 (3)
O3^iv—Na—Ti^ix	98.21 (3)	O3—Si—Na	136.37 (3)
O3^v—Na—Ti^ix	134.84 (2)	O3^xv—Si—Na	111.07 (4)
O3^vi—Na—Ti^ix	78.75 (2)	Na^ii—Si—Na	98.74 (2)
O3^vii—Na—Ti^ix	149.947 (18)	Na^xvi—Si—Na	161.57 (2)
Si^ii—Na—Ti^ix	66.595 (19)	Si—O1—Ti^viii	121.52 (5)
Si^i—Na—Ti^ix	139.338 (16)	Si—O1—Ti^xvii	123.50 (5)
Ti^viii—Na—Ti^ix	111.41 (3)	Ti^viii—O1—Ti^xvii	98.41 (4)
O2^v—Ti—O2^iv	95.54 (5)	Si—O1—Na	113.69 (4)
O2^v—Ti—O1^x	95.90 (4)	Ti^viii—O1—Na	90.66 (3)
O2^iv—Ti—O1^x	90.19 (4)	Ti^xvii—O1—Na	103.01 (4)
O2^v—Ti—O1^viii	90.19 (4)	Si—O2—Ti^xvi	147.73 (5)
O2^iv—Ti—O1^viii	95.90 (4)	Si—O2—Na^ii	95.95 (4)
O1^x—Ti—O1^viii	170.94 (5)	Ti^xvi—O2—Na^ii	93.75 (4)
O2^v—Ti—O1^xi	169.91 (3)	Si—O3—Si^xviii	139.88 (6)
O2^iv—Ti—O1^xi	91.14 (4)	Si—O3—Na^xvi	103.81 (4)
O1^x—Ti—O1^xi	91.62 (3)	Si^xviii—O3—Na^xvi	93.57 (4)
O1^viii—Ti—O1^xi	81.59 (4)	Si—O3—Na^vii	115.94 (5)
O2^v—Ti—O1^xii	91.14 (4)	Si^xviii—O3—Na^vii	88.53 (4)
O2^iv—Ti—O1^xii	169.91 (3)	Na^xvi—O3—Na^vii	113.17 (4)
O1^x—Ti—O1^xii	81.59 (4)

Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (ii) −x+1/2, −y+1/2, −z+1; (iii) −x, y, −z+1/2; (iv) −x+1/2, y+1/2, −z+1/2; (v) x−1/2, y+1/2, z; (vi) x−1/2, −y+1/2, z+1/2; (vii) −x+1/2, −y+1/2, −z; (viii) −x, −y+1, −z; (ix) −x, −y+1, −z+1; (x) x, −y+1, z+1/2; (xi) x, y+1, z; (xii) −x, y+1, −z+1/2; (xiii) −x, −y+2, −z+1; (xiv) −x, −y+2, −z; (xv) x, −y, z+1/2; (xvi) x+1/2, y−1/2, z; (xvii) x, y−1, z; (xviii) x, −y, z−1/2.

(220)

Crystal data

O6NaSi2Ti	F(000) = 436
Mr = 223.07	Dx = 3.389 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 9.705 (3) Å	Cell parameters from 1731 reflections
b = 8.8747 (17) Å	θ = 2.1–32.3°
c = 5.3029 (15) Å	µ = 2.55 mm^−1
β = 106.83 (2)°	T = 220 K
V = 437.17 (19) Å^3	Prismatic, blue
Z = 4	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	622 reflections with I > 2σ(I)
rotation method scans	Rint = 0.034
Absorption correction: empirical (using intensity measurements) via equivalents	θmax = 32.0°, θmin = 3.2°
Tmin = 0.625, Tmax = 0.729	h = −11→13
2024 measured reflections	k = −11→13
705 independent reflections	l = −7→7

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0183P)^2 + 0.2401P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.017	(Δ/σ)max < 0.001
wR(F^2) = 0.043	Δρmax = 0.30 e Å^−3
S = 1.10	Δρmin = −0.35 e Å^−3
705 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
48 parameters	Extinction coefficient: 0.0209 (16)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na	0	0.30158 (8)	0.25	0.01193 (14)
Ti	0	0.90225 (3)	0.25	0.00416 (7)
Si	0.29201 (3)	0.08918 (3)	0.24085 (5)	0.00372 (8)
O1	0.11694 (9)	0.07942 (9)	0.14574 (15)	0.00535 (14)
O2	0.36087 (9)	0.25315 (9)	0.30399 (14)	0.00713 (16)
O3	0.35200 (9)	0.00820 (10)	0.01541 (14)	0.00647 (15)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na	0.0147 (4)	0.0093 (3)	0.0092 (3)	0	−0.0007 (2)	0
Ti	0.00349 (14)	0.00427 (11)	0.00454 (11)	0	0.00087 (8)	0
Si	0.00343 (15)	0.00486 (13)	0.00292 (12)	−0.00033 (9)	0.00099 (10)	−0.00003 (8)
O1	0.0041 (4)	0.0073 (3)	0.0045 (3)	0.0001 (3)	0.0010 (3)	0.0004 (2)
O2	0.0079 (4)	0.0062 (3)	0.0073 (3)	−0.0020 (3)	0.0023 (3)	−0.0004 (2)
O3	0.0058 (4)	0.0086 (3)	0.0049 (3)	−0.0004 (3)	0.0015 (2)	−0.0024 (2)

Geometric parameters (Å, º)

Na—O2^i	2.4090 (10)	Ti—Ti^xiii	3.1686 (7)
Na—O2^ii	2.4090 (10)	Ti—Ti^xiv	3.1686 (7)
Na—O1^iii	2.4176 (10)	Ti—Na^viii	3.2098 (8)
Na—O1	2.4176 (10)	Ti—Na^ix	3.2098 (8)
Na—O3^iv	2.4368 (11)	Ti—Na^xii	3.5439 (10)
Na—O3^v	2.4368 (11)	Si—O2	1.5958 (9)
Na—O3^vi	2.8399 (10)	Si—O1	1.6287 (10)
Na—O3^vii	2.8399 (11)	Si—O3	1.6395 (9)
Na—Si^i	3.0245 (9)	Si—O3^xv	1.6476 (9)
Na—Si^ii	3.0245 (9)	Si—Na^i	3.0245 (9)
Na—Ti^viii	3.2098 (8)	Si—Na^xvi	3.2457 (8)
Na—Ti^ix	3.2098 (8)	O1—Ti^viii	2.0830 (10)
Ti—O2^v	1.9698 (9)	O1—Ti^xvii	2.1046 (9)
Ti—O2^iv	1.9698 (9)	O2—Ti^xvi	1.9698 (9)
Ti—O1^x	2.0830 (10)	O2—Na^i	2.4090 (10)
Ti—O1^viii	2.0830 (10)	O3—Si^xviii	1.6476 (9)
Ti—O1^xi	2.1046 (9)	O3—Na^xvi	2.4368 (11)
Ti—O1^xii	2.1046 (9)	O3—Na^vii	2.8399 (10)
O2^i—Na—O2^ii	156.74 (5)	O1^viii—Ti—O1^xii	81.66 (4)
O2^i—Na—O1^iii	77.16 (3)	O1^xi—Ti—O1^xii	83.32 (5)
O2^ii—Na—O1^iii	83.88 (3)	O2^v—Ti—Ti^xiii	94.59 (3)
O2^i—Na—O1	83.88 (3)	O2^iv—Ti—Ti^xiii	130.96 (3)
O2^ii—Na—O1	77.16 (3)	O1^x—Ti—Ti^xiii	41.08 (2)
O1^iii—Na—O1	70.71 (5)	O1^viii—Ti—Ti^xiii	131.93 (3)
O2^i—Na—O3^iv	64.57 (3)	O1^xi—Ti—Ti^xiii	40.57 (2)
O2^ii—Na—O3^iv	137.13 (4)	O1^xii—Ti—Ti^xiii	86.64 (3)
O1^iii—Na—O3^iv	138.01 (3)	O2^v—Ti—Ti^xiv	130.96 (3)
O1—Na—O3^iv	118.95 (3)	O2^iv—Ti—Ti^xiv	94.59 (3)
O2^i—Na—O3^v	137.13 (4)	O1^x—Ti—Ti^xiv	131.93 (3)
O2^ii—Na—O3^v	64.57 (3)	O1^viii—Ti—Ti^xiv	41.08 (2)
O1^iii—Na—O3^v	118.95 (3)	O1^xi—Ti—Ti^xiv	86.64 (3)
O1—Na—O3^v	138.01 (3)	O1^xii—Ti—Ti^xiv	40.57 (2)
O3^iv—Na—O3^v	82.39 (5)	Ti^xiii—Ti—Ti^xiv	113.60 (2)
O2^i—Na—O3^vi	81.57 (3)	O2^v—Ti—Na^viii	84.57 (3)
O2^ii—Na—O3^vi	112.72 (3)	O2^iv—Ti—Na^viii	48.50 (3)
O1^iii—Na—O3^vi	91.90 (3)	O1^x—Ti—Na^viii	138.24 (3)
O1—Na—O3^vi	159.47 (3)	O1^viii—Ti—Na^viii	48.86 (3)
O3^iv—Na—O3^vi	66.90 (4)	O1^xi—Ti—Na^viii	140.09 (2)
O3^v—Na—O3^vi	59.85 (2)	O1^xii—Ti—Na^viii	94.30 (3)
O2^i—Na—O3^vii	112.72 (3)	Ti^xiii—Ti—Na^viii	178.894 (15)
O2^ii—Na—O3^vii	81.57 (3)	Ti^xiv—Ti—Na^viii	67.50 (2)
O1^iii—Na—O3^vii	159.47 (3)	O2^v—Ti—Na^ix	48.50 (3)
O1—Na—O3^vii	91.90 (3)	O2^iv—Ti—Na^ix	84.57 (3)
O3^iv—Na—O3^vii	59.85 (2)	O1^x—Ti—Na^ix	48.86 (3)
O3^v—Na—O3^vii	66.90 (4)	O1^viii—Ti—Na^ix	138.24 (3)
O3^vi—Na—O3^vii	107.05 (4)	O1^xi—Ti—Na^ix	94.30 (3)
O2^i—Na—Si^i	31.65 (2)	O1^xii—Ti—Na^ix	140.09 (2)
O2^ii—Na—Si^i	168.66 (3)	Ti^xiii—Ti—Na^ix	67.50 (2)
O1^iii—Na—Si^i	107.06 (2)	Ti^xiv—Ti—Na^ix	178.894 (15)
O1—Na—Si^i	103.26 (3)	Na^viii—Ti—Na^ix	111.39 (3)
O3^iv—Na—Si^i	32.938 (19)	O2^v—Ti—Na^xii	132.20 (3)
O3^v—Na—Si^i	110.91 (3)	O2^iv—Ti—Na^xii	132.20 (3)
O3^vi—Na—Si^i	70.71 (3)	O1^x—Ti—Na^xii	85.52 (2)
O3^vii—Na—Si^i	87.09 (3)	O1^viii—Ti—Na^xii	85.52 (2)
O2^i—Na—Si^ii	168.67 (3)	O1^xi—Ti—Na^xii	41.66 (2)
O2^ii—Na—Si^ii	31.65 (2)	O1^xii—Ti—Na^xii	41.66 (2)
O1^iii—Na—Si^ii	103.26 (3)	Ti^xiii—Ti—Na^xii	56.802 (12)
O1—Na—Si^ii	107.06 (2)	Ti^xiv—Ti—Na^xii	56.802 (12)
O3^iv—Na—Si^ii	110.91 (3)	Na^viii—Ti—Na^xii	124.305 (14)
O3^v—Na—Si^ii	32.938 (19)	Na^ix—Ti—Na^xii	124.305 (14)
O3^vi—Na—Si^ii	87.09 (3)	O2—Si—O1	116.71 (4)
O3^vii—Na—Si^ii	70.71 (3)	O2—Si—O3	109.71 (5)
Si^i—Na—Si^ii	142.61 (3)	O1—Si—O3	108.05 (4)
O2^i—Na—Ti^viii	124.28 (3)	O2—Si—O3^xv	105.88 (4)
O2^ii—Na—Ti^viii	37.76 (2)	O1—Si—O3^xv	108.40 (5)
O1^iii—Na—Ti^viii	80.89 (3)	O3—Si—O3^xv	107.77 (4)
O1—Na—Ti^viii	40.46 (2)	O2—Si—Na^i	52.39 (3)
O3^iv—Na—Ti^viii	134.81 (2)	O1—Si—Na^i	131.32 (3)
O3^v—Na—Ti^viii	98.24 (3)	O3—Si—Na^i	120.35 (4)
O3^vi—Na—Ti^viii	149.930 (18)	O3^xv—Si—Na^i	53.53 (4)
O3^vii—Na—Ti^viii	78.73 (2)	O2—Si—Na^xvi	119.55 (4)
Si^i—Na—Ti^viii	139.324 (16)	O1—Si—Na^xvi	123.46 (3)
Si^ii—Na—Ti^viii	66.602 (19)	O3—Si—Na^xvi	46.81 (3)
O2^i—Na—Ti^ix	37.76 (2)	O3^xv—Si—Na^xvi	61.00 (3)
O2^ii—Na—Ti^ix	124.28 (3)	Na^i—Si—Na^xvi	89.27 (2)
O1^iii—Na—Ti^ix	40.46 (2)	O2—Si—Na	78.03 (4)
O1—Na—Ti^ix	80.89 (3)	O1—Si—Na	40.38 (3)
O3^iv—Na—Ti^ix	98.24 (3)	O3—Si—Na	136.35 (3)
O3^v—Na—Ti^ix	134.81 (2)	O3^xv—Si—Na	111.05 (4)
O3^vi—Na—Ti^ix	78.73 (2)	Na^i—Si—Na	98.77 (2)
O3^vii—Na—Ti^ix	149.930 (18)	Na^xvi—Si—Na	161.57 (2)
Si^i—Na—Ti^ix	66.602 (19)	Si—O1—Ti^viii	121.53 (5)
Si^ii—Na—Ti^ix	139.324 (16)	Si—O1—Ti^xvii	123.50 (4)
Ti^viii—Na—Ti^ix	111.39 (3)	Ti^viii—O1—Ti^xvii	98.34 (4)
O2^v—Ti—O2^iv	95.59 (5)	Si—O1—Na	113.74 (4)
O2^v—Ti—O1^x	95.88 (3)	Ti^viii—O1—Na	90.68 (3)
O2^iv—Ti—O1^x	90.14 (4)	Ti^xvii—O1—Na	102.98 (4)
O2^v—Ti—O1^viii	90.14 (4)	Si—O2—Ti^xvi	147.68 (5)
O2^iv—Ti—O1^viii	95.88 (3)	Si—O2—Na^i	95.95 (4)
O1^x—Ti—O1^viii	171.04 (4)	Ti^xvi—O2—Na^i	93.74 (4)
O2^v—Ti—O1^xi	91.10 (4)	Si—O3—Si^xviii	139.92 (6)
O2^iv—Ti—O1^xi	169.92 (3)	Si—O3—Na^xvi	103.82 (4)
O1^x—Ti—O1^xi	81.66 (4)	Si^xviii—O3—Na^xvi	93.53 (4)
O1^viii—Ti—O1^xi	91.63 (3)	Si—O3—Na^vii	115.99 (4)
O2^v—Ti—O1^xii	169.92 (3)	Si^xviii—O3—Na^vii	88.50 (4)
O2^iv—Ti—O1^xii	91.10 (4)	Na^xvi—O3—Na^vii	113.10 (4)
O1^x—Ti—O1^xii	91.63 (3)

Symmetry codes: (i) −x+1/2, −y+1/2, −z+1; (ii) x−1/2, −y+1/2, z−1/2; (iii) −x, y, −z+1/2; (iv) −x+1/2, y+1/2, −z+1/2; (v) x−1/2, y+1/2, z; (vi) x−1/2, −y+1/2, z+1/2; (vii) −x+1/2, −y+1/2, −z; (viii) −x, −y+1, −z; (ix) −x, −y+1, −z+1; (x) x, −y+1, z+1/2; (xi) −x, y+1, −z+1/2; (xii) x, y+1, z; (xiii) −x, −y+2, −z+1; (xiv) −x, −y+2, −z; (xv) x, −y, z+1/2; (xvi) x+1/2, y−1/2, z; (xvii) x, y−1, z; (xviii) x, −y, z−1/2.

(215)

Crystal data

O6NaSi2Ti	F(000) = 436
Mr = 223.07	Dx = 3.389 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 9.706 (3) Å	Cell parameters from 1921 reflections
b = 8.8746 (17) Å	θ = 2.1–32.3°
c = 5.3027 (14) Å	µ = 2.55 mm^−1
β = 106.83 (2)°	T = 215 K
V = 437.21 (19) Å^3	Prismatic, blue
Z = 4	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	626 reflections with I > 2σ(I)
rotation method scans	Rint = 0.035
Absorption correction: empirical (using intensity measurements) via equivalents	θmax = 32.0°, θmin = 3.2°
Tmin = 0.628, Tmax = 0.735	h = −13→11
2023 measured reflections	k = −11→13
704 independent reflections	l = −7→7

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0185P)^2 + 0.1707P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.018	(Δ/σ)max < 0.001
wR(F^2) = 0.042	Δρmax = 0.30 e Å^−3
S = 1.10	Δρmin = −0.35 e Å^−3
704 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
48 parameters	Extinction coefficient: 0.0195 (15)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na	0	0.30169 (7)	0.25	0.01180 (14)
Ti	0	0.90229 (3)	0.25	0.00407 (7)
Si	0.29204 (3)	0.08919 (3)	0.24095 (5)	0.00364 (7)
O1	0.11694 (9)	0.07942 (8)	0.14574 (14)	0.00525 (14)
O2	0.36087 (9)	0.25314 (9)	0.30426 (13)	0.00703 (15)
O3	0.35209 (8)	0.00818 (9)	0.01530 (13)	0.00636 (15)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na	0.0144 (3)	0.0091 (3)	0.0091 (3)	0	−0.0009 (2)	0
Ti	0.00349 (13)	0.00412 (11)	0.00437 (11)	0	0.00077 (8)	0
Si	0.00327 (15)	0.00468 (13)	0.00301 (12)	−0.00039 (9)	0.00096 (9)	−0.00005 (8)
O1	0.0041 (4)	0.0070 (3)	0.0046 (3)	−0.0004 (2)	0.0012 (2)	0.0002 (2)
O2	0.0075 (4)	0.0065 (3)	0.0072 (3)	−0.0019 (3)	0.0024 (3)	−0.0003 (2)
O3	0.0059 (4)	0.0084 (3)	0.0048 (3)	−0.0002 (3)	0.0016 (2)	−0.0022 (2)

Geometric parameters (Å, º)

Na—O2^i	2.4081 (10)	Ti—Ti^xiii	3.1682 (7)
Na—O2^ii	2.4081 (10)	Ti—Ti^xiv	3.1682 (7)
Na—O1^iii	2.4183 (10)	Ti—Na^viii	3.2104 (7)
Na—O1	2.4183 (10)	Ti—Na^ix	3.2104 (7)
Na—O3^iv	2.4358 (10)	Ti—Na^xii	3.5445 (10)
Na—O3^v	2.4358 (10)	Si—O2	1.5957 (9)
Na—O3^vi	2.8385 (10)	Si—O1	1.6291 (10)
Na—O3^vii	2.8385 (10)	Si—O3	1.6408 (9)
Na—Si^ii	3.0238 (9)	Si—O3^xv	1.6468 (8)
Na—Si^i	3.0238 (9)	Si—Na^ii	3.0238 (9)
Na—Ti^viii	3.2104 (7)	Si—Na^xvi	3.2451 (8)
Na—Ti^ix	3.2104 (7)	O1—Ti^viii	2.0830 (10)
Ti—O2^v	1.9707 (9)	O1—Ti^xvii	2.1044 (8)
Ti—O2^iv	1.9707 (9)	O2—Ti^xvi	1.9707 (9)
Ti—O1^x	2.0830 (10)	O2—Na^ii	2.4081 (10)
Ti—O1^viii	2.0830 (10)	O3—Si^xviii	1.6468 (8)
Ti—O1^xi	2.1044 (9)	O3—Na^xvi	2.4358 (10)
Ti—O1^xii	2.1044 (9)	O3—Na^vii	2.8385 (10)
O2^i—Na—O2^ii	156.68 (5)	O1^viii—Ti—O1^xii	81.67 (4)
O2^i—Na—O1^iii	83.83 (3)	O1^xi—Ti—O1^xii	83.34 (5)
O2^ii—Na—O1^iii	77.16 (3)	O2^v—Ti—Ti^xiii	94.56 (3)
O2^i—Na—O1	77.16 (3)	O2^iv—Ti—Ti^xiii	130.99 (2)
O2^ii—Na—O1	83.83 (3)	O1^x—Ti—Ti^xiii	41.09 (2)
O1^iii—Na—O1	70.69 (4)	O1^viii—Ti—Ti^xiii	131.94 (3)
O2^i—Na—O3^iv	137.19 (3)	O1^xi—Ti—Ti^xiii	40.58 (2)
O2^ii—Na—O3^iv	64.56 (3)	O1^xii—Ti—Ti^xiii	86.65 (3)
O1^iii—Na—O3^iv	137.99 (3)	O2^v—Ti—Ti^xiv	130.99 (3)
O1—Na—O3^iv	118.96 (3)	O2^iv—Ti—Ti^xiv	94.56 (3)
O2^i—Na—O3^v	64.56 (3)	O1^x—Ti—Ti^xiv	131.94 (3)
O2^ii—Na—O3^v	137.19 (3)	O1^viii—Ti—Ti^xiv	41.09 (2)
O1^iii—Na—O3^v	118.96 (3)	O1^xi—Ti—Ti^xiv	86.65 (3)
O1—Na—O3^v	137.99 (3)	O1^xii—Ti—Ti^xiv	40.58 (2)
O3^iv—Na—O3^v	82.42 (5)	Ti^xiii—Ti—Ti^xiv	113.62 (2)
O2^i—Na—O3^vi	112.72 (3)	O2^v—Ti—Na^viii	84.59 (3)
O2^ii—Na—O3^vi	81.61 (3)	O2^iv—Ti—Na^viii	48.46 (3)
O1^iii—Na—O3^vi	91.91 (3)	O1^x—Ti—Na^viii	138.21 (3)
O1—Na—O3^vi	159.46 (3)	O1^viii—Ti—Na^viii	48.87 (3)
O3^iv—Na—O3^vi	66.89 (4)	O1^xi—Ti—Na^viii	140.10 (2)
O3^v—Na—O3^vi	59.88 (2)	O1^xii—Ti—Na^viii	94.32 (3)
O2^i—Na—O3^vii	81.61 (3)	Ti^xiii—Ti—Na^viii	178.864 (14)
O2^ii—Na—O3^vii	112.72 (3)	Ti^xiv—Ti—Na^viii	67.51 (2)
O1^iii—Na—O3^vii	159.46 (3)	O2^v—Ti—Na^ix	48.46 (3)
O1—Na—O3^vii	91.91 (3)	O2^iv—Ti—Na^ix	84.59 (3)
O3^iv—Na—O3^vii	59.88 (2)	O1^x—Ti—Na^ix	48.87 (3)
O3^v—Na—O3^vii	66.89 (4)	O1^viii—Ti—Na^ix	138.21 (3)
O3^vi—Na—O3^vii	107.05 (4)	O1^xi—Ti—Na^ix	94.32 (3)
O2^i—Na—Si^ii	168.70 (3)	O1^xii—Ti—Na^ix	140.10 (2)
O2^ii—Na—Si^ii	31.66 (2)	Ti^xiii—Ti—Na^ix	67.51 (2)
O1^iii—Na—Si^ii	107.06 (2)	Ti^xiv—Ti—Na^ix	178.864 (14)
O1—Na—Si^ii	103.24 (2)	Na^viii—Ti—Na^ix	111.35 (3)
O3^iv—Na—Si^ii	32.925 (18)	O2^v—Ti—Na^xii	132.20 (3)
O3^v—Na—Si^ii	110.95 (3)	O2^iv—Ti—Na^xii	132.20 (3)
O3^vi—Na—Si^ii	70.73 (3)	O1^x—Ti—Na^xii	85.53 (2)
O3^vii—Na—Si^ii	87.10 (3)	O1^viii—Ti—Na^xii	85.53 (2)
O2^i—Na—Si^i	31.66 (2)	O1^xi—Ti—Na^xii	41.67 (2)
O2^ii—Na—Si^i	168.70 (3)	O1^xii—Ti—Na^xii	41.67 (2)
O1^iii—Na—Si^i	103.24 (2)	Ti^xiii—Ti—Na^xii	56.812 (11)
O1—Na—Si^i	107.06 (2)	Ti^xiv—Ti—Na^xii	56.812 (11)
O3^iv—Na—Si^i	110.95 (3)	Na^viii—Ti—Na^xii	124.325 (13)
O3^v—Na—Si^i	32.925 (18)	Na^ix—Ti—Na^xii	124.325 (13)
O3^vi—Na—Si^i	87.10 (3)	O2—Si—O1	116.71 (4)
O3^vii—Na—Si^i	70.73 (3)	O2—Si—O3	109.72 (4)
Si^ii—Na—Si^i	142.65 (3)	O1—Si—O3	108.04 (4)
O2^i—Na—Ti^viii	37.77 (2)	O2—Si—O3^xv	105.85 (4)
O2^ii—Na—Ti^viii	124.23 (3)	O1—Si—O3^xv	108.45 (5)
O1^iii—Na—Ti^viii	80.86 (3)	O3—Si—O3^xv	107.74 (3)
O1—Na—Ti^viii	40.45 (2)	O2—Si—Na^ii	52.38 (3)
O3^iv—Na—Ti^viii	134.85 (2)	O1—Si—Na^ii	131.34 (3)
O3^v—Na—Ti^viii	98.23 (3)	O3—Si—Na^ii	120.33 (3)
O3^vi—Na—Ti^viii	149.934 (18)	O3^xv—Si—Na^ii	53.51 (3)
O3^vii—Na—Ti^viii	78.75 (2)	O2—Si—Na^xvi	119.54 (4)
Si^ii—Na—Ti^viii	139.304 (16)	O1—Si—Na^xvi	123.46 (3)
Si^i—Na—Ti^viii	66.607 (18)	O3—Si—Na^xvi	46.80 (3)
O2^i—Na—Ti^ix	124.23 (3)	O3^xv—Si—Na^xvi	60.97 (3)
O2^ii—Na—Ti^ix	37.77 (2)	Na^ii—Si—Na^xvi	89.25 (2)
O1^iii—Na—Ti^ix	40.45 (2)	O2—Si—Na	78.01 (4)
O1—Na—Ti^ix	80.86 (3)	O1—Si—Na	40.39 (3)
O3^iv—Na—Ti^ix	98.23 (3)	O3—Si—Na	136.34 (3)
O3^v—Na—Ti^ix	134.85 (2)	O3^xv—Si—Na	111.11 (4)
O3^vi—Na—Ti^ix	78.75 (2)	Na^ii—Si—Na	98.79 (2)
O3^vii—Na—Ti^ix	149.934 (17)	Na^xvi—Si—Na	161.596 (19)
Si^ii—Na—Ti^ix	66.607 (18)	Si—O1—Ti^viii	121.55 (5)
Si^i—Na—Ti^ix	139.304 (16)	Si—O1—Ti^xvii	123.50 (4)
Ti^viii—Na—Ti^ix	111.35 (3)	Ti^viii—O1—Ti^xvii	98.33 (4)
O2^v—Ti—O2^iv	95.61 (5)	Si—O1—Na	113.73 (4)
O2^v—Ti—O1^x	95.84 (3)	Ti^viii—O1—Na	90.68 (3)
O2^iv—Ti—O1^x	90.16 (3)	Ti^xvii—O1—Na	102.98 (4)
O2^v—Ti—O1^viii	90.16 (3)	Si—O2—Ti^xvi	147.63 (5)
O2^iv—Ti—O1^viii	95.84 (3)	Si—O2—Na^ii	95.96 (4)
O1^x—Ti—O1^viii	171.07 (4)	Ti^xvi—O2—Na^ii	93.77 (4)
O2^v—Ti—O1^xi	91.08 (4)	Si—O3—Si^xviii	139.86 (6)
O2^iv—Ti—O1^xi	169.94 (3)	Si—O3—Na^xvi	103.79 (4)
O1^x—Ti—O1^xi	81.67 (4)	Si^xviii—O3—Na^xvi	93.56 (4)
O1^viii—Ti—O1^xi	91.63 (3)	Si—O3—Na^vii	116.00 (4)
O2^v—Ti—O1^xii	169.94 (3)	Si^xviii—O3—Na^vii	88.54 (4)
O2^iv—Ti—O1^xii	91.08 (4)	Na^xvi—O3—Na^vii	113.11 (4)
O1^x—Ti—O1^xii	91.63 (3)

Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (ii) −x+1/2, −y+1/2, −z+1; (iii) −x, y, −z+1/2; (iv) −x+1/2, y+1/2, −z+1/2; (v) x−1/2, y+1/2, z; (vi) x−1/2, −y+1/2, z+1/2; (vii) −x+1/2, −y+1/2, −z; (viii) −x, −y+1, −z; (ix) −x, −y+1, −z+1; (x) x, −y+1, z+1/2; (xi) −x, y+1, −z+1/2; (xii) x, y+1, z; (xiii) −x, −y+2, −z+1; (xiv) −x, −y+2, −z; (xv) x, −y, z+1/2; (xvi) x+1/2, y−1/2, z; (xvii) x, y−1, z; (xviii) x, −y, z−1/2.

(210)

Crystal data

O6NaSi2Ti	F(000) = 436
Mr = 223.07	Dx = 3.389 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 9.707 (3) Å	Cell parameters from 1875 reflections
b = 8.8735 (17) Å	θ = 2.1–32.3°
c = 5.3023 (15) Å	µ = 2.55 mm^−1
β = 106.82 (2)°	T = 210 K
V = 437.16 (19) Å^3	Prismatic, blue
Z = 4	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	627 reflections with I > 2σ(I)
rotation method scans	Rint = 0.034
Absorption correction: empirical (using intensity measurements) via equivalents	θmax = 32.0°, θmin = 3.2°
Tmin = 0.646, Tmax = 0.739	h = −13→11
2020 measured reflections	k = −11→13
703 independent reflections	l = −7→7

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0164P)^2 + 0.4203P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.018	(Δ/σ)max = 0.001
wR(F^2) = 0.044	Δρmax = 0.31 e Å^−3
S = 1.10	Δρmin = −0.37 e Å^−3
703 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
48 parameters	Extinction coefficient: 0.0184 (14)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na	0	0.30171 (9)	0.25	0.01145 (15)
Ti	0	0.90234 (3)	0.25	0.00402 (8)
Si	0.29205 (4)	0.08919 (3)	0.24093 (6)	0.00361 (8)
O1	0.11692 (10)	0.07952 (9)	0.14581 (16)	0.00521 (16)
O2	0.36098 (10)	0.25314 (10)	0.30424 (16)	0.00709 (17)
O3	0.35205 (9)	0.00817 (10)	0.01533 (15)	0.00620 (16)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na	0.0138 (4)	0.0092 (3)	0.0088 (3)	0	−0.0008 (2)	0
Ti	0.00341 (15)	0.00422 (12)	0.00427 (12)	0	0.00084 (9)	0
Si	0.00329 (16)	0.00474 (14)	0.00284 (13)	−0.00034 (10)	0.00096 (10)	−0.00008 (9)
O1	0.0042 (4)	0.0069 (4)	0.0044 (3)	−0.0002 (3)	0.0010 (3)	0.0002 (3)
O2	0.0076 (4)	0.0067 (3)	0.0071 (3)	−0.0018 (3)	0.0021 (3)	0.0000 (3)
O3	0.0054 (4)	0.0086 (4)	0.0046 (3)	−0.0003 (3)	0.0015 (3)	−0.0019 (3)

Geometric parameters (Å, º)

Na—O2^i	2.4079 (11)	Ti—Ti^xiii	3.1674 (7)
Na—O2^ii	2.4079 (11)	Ti—Ti^xiv	3.1674 (7)
Na—O1^iii	2.4173 (11)	Ti—Na^viii	3.2105 (8)
Na—O1	2.4173 (11)	Ti—Na^ix	3.2105 (8)
Na—O3^iv	2.4357 (11)	Ti—Na^xi	3.5438 (11)
Na—O3^v	2.4357 (11)	Si—O2	1.5959 (10)
Na—O3^vi	2.8386 (11)	Si—O1	1.6295 (11)
Na—O3^vii	2.8386 (11)	Si—O3	1.6402 (10)
Na—Si^ii	3.0238 (10)	Si—O3^xv	1.6467 (9)
Na—Si^i	3.0238 (10)	Si—Na^ii	3.0238 (10)
Na—Ti^viii	3.2105 (8)	Si—Na^xvi	3.2446 (8)
Na—Ti^ix	3.2105 (8)	O1—Ti^viii	2.0832 (10)
Ti—O2^v	1.9701 (10)	O1—Ti^xvii	2.1043 (9)
Ti—O2^iv	1.9701 (10)	O2—Ti^xvi	1.9701 (10)
Ti—O1^x	2.0832 (10)	O2—Na^ii	2.4079 (11)
Ti—O1^viii	2.0832 (10)	O3—Si^xviii	1.6467 (9)
Ti—O1^xi	2.1043 (9)	O3—Na^xvi	2.4356 (11)
Ti—O1^xii	2.1043 (9)	O3—Na^vii	2.8386 (11)
O2^i—Na—O2^ii	156.68 (6)	O1^viii—Ti—O1^xii	91.65 (4)
O2^i—Na—O1^iii	83.84 (4)	O1^xi—Ti—O1^xii	83.31 (5)
O2^ii—Na—O1^iii	77.15 (4)	O2^v—Ti—Ti^xiii	94.56 (3)
O2^i—Na—O1	77.15 (3)	O2^iv—Ti—Ti^xiii	130.98 (3)
O2^ii—Na—O1	83.84 (4)	O1^x—Ti—Ti^xiii	41.10 (3)
O1^iii—Na—O1	70.70 (5)	O1^viii—Ti—Ti^xiii	131.99 (3)
O2^i—Na—O3^iv	137.18 (4)	O1^xi—Ti—Ti^xiii	86.65 (3)
O2^ii—Na—O3^iv	64.57 (3)	O1^xii—Ti—Ti^xiii	40.60 (3)
O1^iii—Na—O3^iv	138.00 (3)	O2^v—Ti—Ti^xiv	130.98 (3)
O1—Na—O3^iv	118.93 (3)	O2^iv—Ti—Ti^xiv	94.56 (3)
O2^i—Na—O3^v	64.57 (3)	O1^x—Ti—Ti^xiv	131.99 (3)
O2^ii—Na—O3^v	137.18 (4)	O1^viii—Ti—Ti^xiv	41.10 (3)
O1^iii—Na—O3^v	118.93 (3)	O1^xi—Ti—Ti^xiv	40.60 (3)
O1—Na—O3^v	138.00 (3)	O1^xii—Ti—Ti^xiv	86.65 (3)
O3^iv—Na—O3^v	82.45 (5)	Ti^xiii—Ti—Ti^xiv	113.65 (2)
O2^i—Na—O3^vi	112.73 (3)	O2^v—Ti—Na^viii	84.56 (3)
O2^ii—Na—O3^vi	81.59 (3)	O2^iv—Ti—Na^viii	48.45 (3)
O1^iii—Na—O3^vi	91.90 (3)	O1^x—Ti—Na^viii	138.18 (3)
O1—Na—O3^vi	159.45 (3)	O1^viii—Ti—Na^viii	48.84 (3)
O3^iv—Na—O3^vi	66.91 (4)	O1^xi—Ti—Na^viii	94.34 (3)
O3^v—Na—O3^vi	59.87 (2)	O1^xii—Ti—Na^viii	140.09 (3)
O2^i—Na—O3^vii	81.59 (3)	Ti^xiii—Ti—Na^viii	178.841 (16)
O2^ii—Na—O3^vii	112.73 (3)	Ti^xiv—Ti—Na^viii	67.51 (2)
O1^iii—Na—O3^vii	159.45 (3)	O2^v—Ti—Na^ix	48.45 (3)
O1—Na—O3^vii	91.90 (3)	O2^iv—Ti—Na^ix	84.56 (3)
O3^iv—Na—O3^vii	59.87 (2)	O1^x—Ti—Na^ix	48.84 (3)
O3^v—Na—O3^vii	66.91 (4)	O1^viii—Ti—Na^ix	138.18 (3)
O3^vi—Na—O3^vii	107.07 (5)	O1^xi—Ti—Na^ix	140.09 (3)
O2^i—Na—Si^ii	168.69 (3)	O1^xii—Ti—Na^ix	94.34 (3)
O2^ii—Na—Si^ii	31.66 (2)	Ti^xiii—Ti—Na^ix	67.51 (2)
O1^iii—Na—Si^ii	107.06 (3)	Ti^xiv—Ti—Na^ix	178.841 (16)
O1—Na—Si^ii	103.23 (3)	Na^viii—Ti—Na^ix	111.34 (3)
O3^iv—Na—Si^ii	32.92 (2)	O2^v—Ti—Na^xi	132.22 (3)
O3^v—Na—Si^ii	110.96 (4)	O2^iv—Ti—Na^xi	132.22 (3)
O3^vi—Na—Si^ii	70.74 (3)	O1^x—Ti—Na^xi	85.57 (2)
O3^vii—Na—Si^ii	87.10 (3)	O1^viii—Ti—Na^xi	85.57 (2)
O2^i—Na—Si^i	31.66 (2)	O1^xi—Ti—Na^xi	41.66 (3)
O2^ii—Na—Si^i	168.69 (3)	O1^xii—Ti—Na^xi	41.66 (3)
O1^iii—Na—Si^i	103.23 (3)	Ti^xiii—Ti—Na^xi	56.827 (12)
O1—Na—Si^i	107.06 (3)	Ti^xiv—Ti—Na^xi	56.827 (12)
O3^iv—Na—Si^i	110.96 (4)	Na^viii—Ti—Na^xi	124.332 (15)
O3^v—Na—Si^i	32.92 (2)	Na^ix—Ti—Na^xi	124.332 (15)
O3^vi—Na—Si^i	87.10 (3)	O2—Si—O1	116.70 (5)
O3^vii—Na—Si^i	70.74 (3)	O2—Si—O3	109.71 (5)
Si^ii—Na—Si^i	142.65 (3)	O1—Si—O3	108.06 (5)
O2^i—Na—Ti^viii	37.76 (2)	O2—Si—O3^xv	105.83 (5)
O2^ii—Na—Ti^viii	124.24 (4)	O1—Si—O3^xv	108.44 (5)
O1^iii—Na—Ti^viii	80.85 (3)	O3—Si—O3^xv	107.76 (4)
O1—Na—Ti^viii	40.45 (2)	O2—Si—Na^ii	52.37 (3)
O3^iv—Na—Ti^viii	134.84 (2)	O1—Si—Na^ii	131.31 (4)
O3^v—Na—Ti^viii	98.24 (3)	O3—Si—Na^ii	120.34 (4)
O3^vi—Na—Ti^viii	149.929 (19)	O3^xv—Si—Na^ii	53.51 (4)
O3^vii—Na—Ti^viii	78.76 (2)	O2—Si—Na^xvi	119.50 (4)
Si^ii—Na—Ti^viii	139.302 (17)	O1—Si—Na^xvi	123.50 (3)
Si^i—Na—Ti^viii	66.608 (19)	O3—Si—Na^xvi	46.80 (3)
O2^i—Na—Ti^ix	124.24 (4)	O3^xv—Si—Na^xvi	60.99 (4)
O2^ii—Na—Ti^ix	37.76 (2)	Na^ii—Si—Na^xvi	89.24 (2)
O1^iii—Na—Ti^ix	40.45 (2)	O2—Si—Na	78.05 (4)
O1—Na—Ti^ix	80.85 (3)	O1—Si—Na	40.35 (3)
O3^iv—Na—Ti^ix	98.24 (3)	O3—Si—Na	136.34 (3)
O3^v—Na—Ti^ix	134.84 (2)	O3^xv—Si—Na	111.09 (4)
O3^vi—Na—Ti^ix	78.76 (2)	Na^ii—Si—Na	98.80 (2)
O3^vii—Na—Ti^ix	149.929 (19)	Na^xvi—Si—Na	161.60 (2)
Si^ii—Na—Ti^ix	66.608 (19)	Si—O1—Ti^viii	121.54 (5)
Si^i—Na—Ti^ix	139.302 (17)	Si—O1—Ti^xvii	123.48 (5)
Ti^viii—Na—Ti^ix	111.34 (3)	Ti^viii—O1—Ti^xvii	98.29 (4)
O2^v—Ti—O2^iv	95.55 (6)	Si—O1—Na	113.77 (4)
O2^v—Ti—O1^x	95.81 (4)	Ti^viii—O1—Na	90.71 (3)
O2^iv—Ti—O1^x	90.14 (4)	Ti^xvii—O1—Na	102.99 (4)
O2^v—Ti—O1^viii	90.14 (4)	Si—O2—Ti^xvi	147.68 (6)
O2^iv—Ti—O1^viii	95.81 (4)	Si—O2—Na^ii	95.97 (4)
O1^x—Ti—O1^viii	171.14 (5)	Ti^xvi—O2—Na^ii	93.79 (4)
O2^v—Ti—O1^xi	169.96 (3)	Si—O3—Si^xviii	139.90 (6)
O2^iv—Ti—O1^xi	91.12 (4)	Si—O3—Na^xvi	103.79 (4)
O1^x—Ti—O1^xi	91.65 (4)	Si^xviii—O3—Na^xvi	93.57 (5)
O1^viii—Ti—O1^xi	81.71 (4)	Si—O3—Na^vii	116.00 (5)
O2^v—Ti—O1^xii	91.12 (4)	Si^xviii—O3—Na^vii	88.52 (4)
O2^iv—Ti—O1^xii	169.96 (3)	Na^xvi—O3—Na^vii	113.09 (4)
O1^x—Ti—O1^xii	81.71 (4)

Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (ii) −x+1/2, −y+1/2, −z+1; (iii) −x, y, −z+1/2; (iv) −x+1/2, y+1/2, −z+1/2; (v) x−1/2, y+1/2, z; (vi) x−1/2, −y+1/2, z+1/2; (vii) −x+1/2, −y+1/2, −z; (viii) −x, −y+1, −z; (ix) −x, −y+1, −z+1; (x) x, −y+1, z+1/2; (xi) x, y+1, z; (xii) −x, y+1, −z+1/2; (xiii) −x, −y+2, −z+1; (xiv) −x, −y+2, −z; (xv) x, −y, z+1/2; (xvi) x+1/2, y−1/2, z; (xvii) x, y−1, z; (xviii) x, −y, z−1/2.

(200)

Crystal data

O6NaSi2Ti	F(000) = 436
Mr = 223.07	Dx = 3.39 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 9.708 (3) Å	Cell parameters from 2123 reflections
b = 8.8718 (15) Å	θ = 2.1–31.9°
c = 5.3014 (14) Å	µ = 2.55 mm^−1
β = 106.83 (2)°	T = 200 K
V = 437.05 (18) Å^3	Prismatic, blue
Z = 4	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	589 reflections with I > 2σ(I)
rotation method scans	Rint = 0.027
Absorption correction: empirical (using intensity measurements) via equivalents	θmax = 31.7°, θmin = 3.2°
Tmin = 0.632, Tmax = 0.748	h = −14→14
2329 measured reflections	k = −11→11
671 independent reflections	l = −7→7

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0238P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.021	(Δ/σ)max < 0.001
wR(F^2) = 0.047	Δρmax = 0.32 e Å^−3
S = 1.21	Δρmin = −0.39 e Å^−3
671 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
48 parameters	Extinction coefficient: 0.0132 (16)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na	0	0.30170 (10)	0.25	0.01105 (17)
Ti	0	0.90245 (4)	0.25	0.00370 (8)
Si	0.29207 (3)	0.08931 (4)	0.24111 (6)	0.00329 (9)
O1	0.11694 (9)	0.07936 (11)	0.14617 (17)	0.00481 (17)
O2	0.36101 (9)	0.25304 (12)	0.30414 (18)	0.00680 (19)
O3	0.35206 (9)	0.00826 (11)	0.01557 (17)	0.00578 (17)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na	0.0138 (3)	0.0087 (5)	0.0084 (3)	0	−0.0004 (3)	0
Ti	0.00312 (13)	0.00362 (17)	0.00415 (14)	0	0.00071 (10)	0
Si	0.00289 (14)	0.00448 (19)	0.00262 (15)	−0.00030 (11)	0.00099 (11)	−0.00002 (10)
O1	0.0035 (3)	0.0068 (5)	0.0040 (4)	−0.0001 (3)	0.0009 (3)	0.0004 (3)
O2	0.0067 (4)	0.0066 (5)	0.0072 (4)	−0.0021 (3)	0.0022 (3)	−0.0004 (3)
O3	0.0051 (3)	0.0082 (5)	0.0043 (3)	−0.0001 (3)	0.0017 (3)	−0.0020 (3)

Geometric parameters (Å, º)

Na—O2^i	2.4077 (11)	Ti—Ti^xiii	3.1658 (7)
Na—O2^ii	2.4077 (11)	Ti—Ti^xiv	3.1658 (7)
Na—O1^iii	2.4175 (12)	Ti—Na^viii	3.2104 (8)
Na—O1	2.4175 (12)	Ti—Na^ix	3.2104 (8)
Na—O3^iv	2.4356 (12)	Ti—Na^xi	3.5421 (12)
Na—O3^v	2.4356 (12)	Si—O2	1.5938 (11)
Na—O3^vi	2.8386 (12)	Si—O1	1.6298 (10)
Na—O3^vii	2.8386 (12)	Si—O3	1.6398 (10)
Na—Si^ii	3.0224 (9)	Si—O3^xv	1.6477 (10)
Na—Si^i	3.0224 (9)	Si—Na^ii	3.0224 (9)
Na—Ti^viii	3.2104 (8)	Si—Na^xvi	3.2454 (9)
Na—Ti^ix	3.2104 (8)	O1—Ti^viii	2.0846 (11)
Ti—O2^v	1.9709 (10)	O1—Ti^xvii	2.1017 (10)
Ti—O2^iv	1.9709 (10)	O2—Ti^xvi	1.9709 (10)
Ti—O1^viii	2.0846 (11)	O2—Na^ii	2.4077 (11)
Ti—O1^x	2.0846 (11)	O3—Si^xviii	1.6477 (10)
Ti—O1^xi	2.1017 (10)	O3—Na^xvi	2.4356 (12)
Ti—O1^xii	2.1017 (10)	O3—Na^vi	2.8386 (12)
O2^i—Na—O2^ii	156.73 (7)	O1^x—Ti—O1^xii	81.74 (4)
O2^i—Na—O1^iii	83.82 (4)	O1^xi—Ti—O1^xii	83.37 (6)
O2^ii—Na—O1^iii	77.21 (4)	O2^v—Ti—Ti^xiii	94.58 (3)
O2^i—Na—O1	77.21 (4)	O2^iv—Ti—Ti^xiii	130.96 (3)
O2^ii—Na—O1	83.82 (4)	O1^viii—Ti—Ti^xiii	132.01 (3)
O1^iii—Na—O1	70.64 (5)	O1^x—Ti—Ti^xiii	41.07 (3)
O2^i—Na—O3^iv	137.12 (4)	O1^xi—Ti—Ti^xiii	86.67 (3)
O2^ii—Na—O3^iv	64.58 (4)	O1^xii—Ti—Ti^xiii	40.67 (3)
O1^iii—Na—O3^iv	138.08 (3)	O2^v—Ti—Ti^xiv	130.96 (3)
O1—Na—O3^iv	118.93 (3)	O2^iv—Ti—Ti^xiv	94.58 (3)
O2^i—Na—O3^v	64.58 (4)	O1^viii—Ti—Ti^xiv	41.07 (3)
O2^ii—Na—O3^v	137.12 (4)	O1^x—Ti—Ti^xiv	132.01 (3)
O1^iii—Na—O3^v	118.93 (3)	O1^xi—Ti—Ti^xiv	40.67 (3)
O1—Na—O3^v	138.08 (3)	O1^xii—Ti—Ti^xiv	86.67 (3)
O3^iv—Na—O3^v	82.40 (5)	Ti^xiii—Ti—Ti^xiv	113.71 (3)
O2^i—Na—O3^vi	81.55 (3)	O2^v—Ti—Na^viii	84.52 (3)
O2^ii—Na—O3^vi	112.74 (3)	O2^iv—Ti—Na^viii	48.45 (3)
O1^iii—Na—O3^vi	159.37 (4)	O1^viii—Ti—Na^viii	48.85 (3)
O1—Na—O3^vi	91.91 (3)	O1^x—Ti—Na^viii	138.19 (3)
O3^iv—Na—O3^vi	59.86 (2)	O1^xi—Ti—Na^viii	94.36 (3)
O3^v—Na—O3^vi	66.94 (4)	O1^xii—Ti—Na^viii	140.06 (3)
O2^i—Na—O3^vii	112.74 (3)	Ti^xiii—Ti—Na^viii	178.799 (19)
O2^ii—Na—O3^vii	81.55 (3)	Ti^xiv—Ti—Na^viii	67.49 (2)
O1^iii—Na—O3^vii	91.91 (3)	O2^v—Ti—Na^ix	48.45 (3)
O1—Na—O3^vii	159.37 (4)	O2^iv—Ti—Na^ix	84.52 (3)
O3^iv—Na—O3^vii	66.94 (4)	O1^viii—Ti—Na^ix	138.19 (3)
O3^v—Na—O3^vii	59.86 (2)	O1^x—Ti—Na^ix	48.85 (3)
O3^vi—Na—O3^vii	107.13 (5)	O1^xi—Ti—Na^ix	140.06 (3)
O2^i—Na—Si^ii	168.67 (3)	O1^xii—Ti—Na^ix	94.36 (3)
O2^ii—Na—Si^ii	31.63 (3)	Ti^xiii—Ti—Na^ix	67.49 (2)
O1^iii—Na—Si^ii	107.10 (3)	Ti^xiv—Ti—Na^ix	178.799 (19)
O1—Na—Si^ii	103.18 (3)	Na^viii—Ti—Na^ix	111.31 (3)
O3^iv—Na—Si^ii	32.97 (2)	O2^v—Ti—Na^xi	132.27 (3)
O3^v—Na—Si^ii	110.95 (4)	O2^iv—Ti—Na^xi	132.27 (3)
O3^vi—Na—Si^ii	87.11 (3)	O1^viii—Ti—Na^xi	85.56 (3)
O3^vii—Na—Si^ii	70.75 (3)	O1^x—Ti—Na^xi	85.56 (3)
O2^i—Na—Si^i	31.63 (3)	O1^xi—Ti—Na^xi	41.69 (3)
O2^ii—Na—Si^i	168.67 (3)	O1^xii—Ti—Na^xi	41.69 (3)
O1^iii—Na—Si^i	103.18 (3)	Ti^xiii—Ti—Na^xi	56.856 (13)
O1—Na—Si^i	107.10 (3)	Ti^xiv—Ti—Na^xi	56.856 (13)
O3^iv—Na—Si^i	110.95 (4)	Na^viii—Ti—Na^xi	124.345 (16)
O3^v—Na—Si^i	32.97 (2)	Na^ix—Ti—Na^xi	124.345 (16)
O3^vi—Na—Si^i	70.75 (3)	O2—Si—O1	116.82 (5)
O3^vii—Na—Si^i	87.11 (3)	O2—Si—O3	109.65 (5)
Si^ii—Na—Si^i	142.68 (4)	O1—Si—O3	108.06 (5)
O2^i—Na—Ti^viii	37.78 (3)	O2—Si—O3^xv	105.91 (5)
O2^ii—Na—Ti^viii	124.25 (4)	O1—Si—O3^xv	108.34 (5)
O1^iii—Na—Ti^viii	80.79 (3)	O3—Si—O3^xv	107.71 (4)
O1—Na—Ti^viii	40.49 (2)	O2—Si—Na^ii	52.40 (4)
O3^iv—Na—Ti^viii	134.82 (2)	O1—Si—Na^ii	131.33 (4)
O3^v—Na—Ti^viii	98.29 (3)	O3—Si—Na^ii	120.32 (4)
O3^vi—Na—Ti^viii	78.74 (2)	O3^xv—Si—Na^ii	53.55 (4)
O3^vii—Na—Ti^viii	149.941 (19)	O2—Si—Na^xvi	119.47 (4)
Si^ii—Na—Ti^viii	139.276 (17)	O1—Si—Na^xvi	123.42 (4)
Si^i—Na—Ti^viii	66.616 (18)	O3—Si—Na^xvi	46.78 (4)
O2^i—Na—Ti^ix	124.25 (4)	O3^xv—Si—Na^xvi	60.97 (4)
O2^ii—Na—Ti^ix	37.78 (3)	Na^ii—Si—Na^xvi	89.24 (3)
O1^iii—Na—Ti^ix	40.49 (2)	O2—Si—Na	78.12 (4)
O1—Na—Ti^ix	80.79 (3)	O1—Si—Na	40.39 (4)
O3^iv—Na—Ti^ix	98.29 (3)	O3—Si—Na	136.33 (4)
O3^v—Na—Ti^ix	134.82 (2)	O3^xv—Si—Na	111.11 (4)
O3^vi—Na—Ti^ix	149.941 (19)	Na^ii—Si—Na	98.85 (2)
O3^vii—Na—Ti^ix	78.74 (2)	Na^xvi—Si—Na	161.57 (3)
Si^ii—Na—Ti^ix	66.617 (18)	Si—O1—Ti^viii	121.48 (5)
Si^i—Na—Ti^ix	139.276 (17)	Si—O1—Ti^xvii	123.63 (5)
Ti^viii—Na—Ti^ix	111.31 (3)	Ti^viii—O1—Ti^xvii	98.26 (4)
O2^v—Ti—O2^iv	95.47 (6)	Si—O1—Na	113.71 (5)
O2^v—Ti—O1^viii	90.15 (4)	Ti^viii—O1—Na	90.66 (4)
O2^iv—Ti—O1^viii	95.82 (4)	Ti^xvii—O1—Na	102.99 (4)
O2^v—Ti—O1^x	95.82 (4)	Si—O2—Ti^xvi	147.79 (6)
O2^iv—Ti—O1^x	90.15 (4)	Si—O2—Na^ii	95.97 (5)
O1^viii—Ti—O1^x	171.12 (6)	Ti^xvi—O2—Na^ii	93.78 (4)
O2^v—Ti—O1^xi	170.03 (4)	Si—O3—Si^xviii	139.90 (6)
O2^iv—Ti—O1^xi	91.12 (4)	Si—O3—Na^xvi	103.84 (5)
O1^viii—Ti—O1^xi	81.74 (4)	Si^xviii—O3—Na^xvi	93.49 (5)
O1^x—Ti—O1^xi	91.61 (4)	Si—O3—Na^vi	116.02 (5)
O2^v—Ti—O1^xii	91.12 (4)	Si^xviii—O3—Na^vi	88.53 (4)
O2^iv—Ti—O1^xii	170.03 (4)	Na^xvi—O3—Na^vi	113.06 (4)
O1^viii—Ti—O1^xii	91.61 (4)

Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (ii) −x+1/2, −y+1/2, −z+1; (iii) −x, y, −z+1/2; (iv) −x+1/2, y+1/2, −z+1/2; (v) x−1/2, y+1/2, z; (vi) −x+1/2, −y+1/2, −z; (vii) x−1/2, −y+1/2, z+1/2; (viii) −x, −y+1, −z; (ix) −x, −y+1, −z+1; (x) x, −y+1, z+1/2; (xi) x, y+1, z; (xii) −x, y+1, −z+1/2; (xiii) −x, −y+2, −z+1; (xiv) −x, −y+2, −z; (xv) x, −y, z+1/2; (xvi) x+1/2, y−1/2, z; (xvii) x, y−1, z; (xviii) x, −y, z−1/2.

(190)

Crystal data

O6NaSi2Ti	Z = 2
Mr = 223.07	F(000) = 218
Triclinic, P1	Dx = 3.388 Mg m^−3
a = 5.3019 (16) Å	Mo Kα radiation, λ = 0.71073 Å
b = 6.5645 (19) Å	Cell parameters from 1911 reflections
c = 6.589 (2) Å	θ = 2.1–32.3°
α = 84.83 (2)°	µ = 2.55 mm^−1
β = 77.69 (2)°	T = 190 K
γ = 77.71 (2)°	Prismatic, blue
V = 218.68 (11) Å^3	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	Rint = 0.033
rotation method scans	θmax = 26.4°, θmin = 4.0°
1514 measured reflections	h = −6→6
814 independent reflections	k = −7→8
673 reflections with I > 2σ(I)	l = −8→8

Refinement

Refinement on F^2	48 parameters
Least-squares matrix: full	8 restraints
R[F^2 > 2σ(F^2)] = 0.028	w = 1/[σ^2(Fo^2) + (0.0154P)^2 + 0.2991P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.055	(Δ/σ)max < 0.001
S = 1.14	Δρmax = 0.45 e Å^−3
814 reflections	Δρmin = −0.40 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na1	0.7564 (7)	0.8040 (4)	0.7006 (5)	0.0081 (3)
Ti1	0.2556 (3)	0.59831 (19)	0.9038 (2)	0.00137 (13)*
Si1	0.7415 (3)	0.2998 (3)	0.6156 (3)	0.0016 (3)*
Si2	1.2406 (3)	0.1217 (3)	0.7950 (3)	0.0008 (3)*
O1	0.8056 (7)	0.3940 (7)	0.3840 (7)	0.0036 (8)*
O2	0.6438 (7)	0.4643 (7)	0.8023 (7)	0.0018 (8)*
O3	0.5166 (7)	0.1564 (7)	0.6388 (7)	0.0022 (8)*
O4	1.0144 (8)	0.1410 (8)	0.6563 (8)	0.0044 (8)*
O5	1.1489 (8)	0.3042 (7)	0.9603 (7)	0.0040 (8)*
O6	1.3022 (8)	−0.1121 (7)	0.8915 (8)	0.0045 (9)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na1	0.0064 (6)	0.0042 (13)	0.0119 (15)	0.0026 (9)	−0.0019 (9)	0.0013 (5)

Geometric parameters (Å, º)

Na1—O1^i	2.385 (5)	Si1—O3	1.645 (4)
Na1—O5^ii	2.406 (5)	Si1—O4	1.651 (4)
Na1—O2	2.430 (5)	Si1—Na1^i	3.002 (4)
Na1—O3^iii	2.436 (5)	Si1—Na1^x	3.240 (3)
Na1—O4^i	2.440 (6)	Si2—O6	1.601 (5)
Na1—O6^iv	2.440 (6)	Si2—O5	1.619 (5)
Na1—O4^iii	2.802 (6)	Si2—O4	1.634 (4)
Na1—O3^v	2.877 (6)	Si2—O3^vi	1.646 (4)
Na1—Si1^i	3.002 (4)	Si2—Na1^xi	3.049 (4)
Na1—Si2^iv	3.049 (4)	Si2—Na1^i	3.255 (3)
Na1—Ti1^vi	3.207 (3)	Si2—Na1^ii	3.407 (4)
Na1—Ti1	3.217 (3)	O1—Ti1^v	1.985 (5)
Ti1—O6^iv	1.961 (5)	O1—Na1^i	2.385 (5)
Ti1—O1^v	1.985 (5)	O2—Ti1^vii	2.099 (5)
Ti1—O2	2.050 (4)	O3—Si2^viii	1.646 (4)
Ti1—O2^vii	2.099 (5)	O3—Na1^x	2.436 (5)
Ti1—O5^viii	2.105 (5)	O3—Na1^v	2.877 (6)
Ti1—O5^vii	2.124 (4)	O4—Na1^i	2.440 (6)
Ti1—Ti1^vii	3.110 (3)	O4—Na1^x	2.802 (6)
Ti1—Na1^viii	3.207 (3)	O5—Ti1^vi	2.105 (5)
Ti1—Ti1^ix	3.217 (3)	O5—Ti1^vii	2.124 (4)
Ti1—Na1^vii	3.5405 (18)	O5—Na1^ii	2.406 (5)
Si1—O1	1.589 (4)	O6—Ti1^xi	1.961 (5)
Si1—O2	1.636 (5)	O6—Na1^xi	2.440 (6)
O1^i—Na1—O5^ii	78.18 (17)	O2^vii—Ti1—Na1	94.95 (13)
O1^i—Na1—O2	83.69 (17)	O5^viii—Ti1—Na1	140.31 (15)
O5^ii—Na1—O2	70.73 (8)	O5^vii—Ti1—Na1	138.70 (15)
O1^i—Na1—O3^iii	138.58 (17)	Ti1^vii—Ti1—Na1	68.03 (6)
O5^ii—Na1—O3^iii	119.8 (2)	Na1^viii—Ti1—Na1	111.24 (5)
O2—Na1—O3^iii	136.2 (2)	O6^iv—Ti1—Ti1^ix	129.95 (16)
O1^i—Na1—O4^i	65.06 (16)	O1^v—Ti1—Ti1^ix	92.65 (13)
O5^ii—Na1—O4^i	140.0 (2)	O2—Ti1—Ti1^ix	132.17 (14)
O2—Na1—O4^i	117.8 (2)	O2^vii—Ti1—Ti1^ix	86.74 (12)
O3^iii—Na1—O4^i	82.48 (8)	O5^viii—Ti1—Ti1^ix	40.69 (12)
O1^i—Na1—O6^iv	156.53 (9)	O5^vii—Ti1—Ti1^ix	40.25 (13)
O5^ii—Na1—O6^iv	83.63 (18)	Ti1^vii—Ti1—Ti1^ix	113.84 (4)
O2—Na1—O6^iv	76.33 (17)	Na1^viii—Ti1—Ti1^ix	66.88 (6)
O3^iii—Na1—O6^iv	64.07 (16)	Na1—Ti1—Ti1^ix	178.12 (6)
O4^i—Na1—O6^iv	135.84 (18)	O6^iv—Ti1—Na1^vii	133.82 (17)
O1^i—Na1—O4^iii	83.16 (17)	O1^v—Ti1—Na1^vii	130.51 (16)
O5^ii—Na1—O4^iii	93.58 (19)	O2—Ti1—Na1^vii	86.77 (13)
O2—Na1—O4^iii	161.32 (18)	O2^vii—Ti1—Na1^vii	42.05 (13)
O3^iii—Na1—O4^iii	60.21 (16)	O5^viii—Ti1—Na1^vii	41.43 (14)
O4^i—Na1—O4^iii	67.8 (2)	O5^vii—Ti1—Na1^vii	84.57 (14)
O6^iv—Na1—O4^iii	112.9 (2)	Ti1^vii—Ti1—Na1^vii	57.42 (6)
O1^i—Na1—O3^v	112.4 (2)	Na1^viii—Ti1—Na1^vii	123.31 (5)
O5^ii—Na1—O3^v	157.47 (18)	Na1—Ti1—Na1^vii	125.45 (5)
O2—Na1—O3^v	90.15 (18)	Ti1^ix—Ti1—Na1^vii	56.42 (6)
O3^iii—Na1—O3^v	66.24 (19)	O1—Si1—O2	117.4 (3)
O4^i—Na1—O3^v	59.46 (16)	O1—Si1—O3	110.3 (2)
O6^iv—Na1—O3^v	80.23 (17)	O2—Si1—O3	107.3 (2)
O4^iii—Na1—O3^v	107.13 (7)	O1—Si1—O4	106.4 (2)
O1^i—Na1—Si1^i	31.77 (11)	O2—Si1—O4	108.1 (3)
O5^ii—Na1—Si1^i	108.30 (16)	O3—Si1—O4	106.8 (3)
O2—Na1—Si1^i	102.84 (16)	O1—Si1—Na1^i	52.18 (16)
O3^iii—Na1—Si1^i	111.61 (12)	O2—Si1—Na1^i	132.86 (17)
O4^i—Na1—Si1^i	33.34 (11)	O3—Si1—Na1^i	119.5 (2)
O6^iv—Na1—Si1^i	167.22 (19)	O4—Si1—Na1^i	54.29 (18)
O4^iii—Na1—Si1^i	71.80 (13)	O1—Si1—Na1^x	120.0 (2)
O3^v—Na1—Si1^i	87.03 (13)	O2—Si1—Na1^x	122.37 (18)
O1^i—Na1—Si2^iv	170.24 (16)	O3—Si1—Na1^x	47.01 (16)
O5^ii—Na1—Si2^iv	103.27 (17)	O4—Si1—Na1^x	59.88 (18)
O2—Na1—Si2^iv	105.96 (15)	Na1^i—Si1—Na1^x	88.44 (8)
O3^iii—Na1—Si2^iv	32.56 (10)	O1—Si1—Na1	78.77 (19)
O4^i—Na1—Si2^iv	110.40 (12)	O2—Si1—Na1	40.62 (16)
O6^iv—Na1—Si2^iv	31.51 (11)	O3—Si1—Na1	137.00 (18)
O4^iii—Na1—Si2^iv	87.10 (13)	O4—Si1—Na1	110.50 (19)
O3^v—Na1—Si2^iv	69.85 (12)	Na1^i—Si1—Na1	99.63 (11)
Si1^i—Na1—Si2^iv	142.70 (5)	Na1^x—Si1—Na1	160.02 (12)
O1^i—Na1—Ti1^vi	38.13 (12)	O6—Si2—O5	115.9 (3)
O5^ii—Na1—Ti1^vi	41.47 (11)	O6—Si2—O4	109.2 (3)
O2—Na1—Ti1^vi	81.88 (11)	O5—Si2—O4	108.7 (2)
O3^iii—Na1—Ti1^vi	136.09 (18)	O6—Si2—O3^vi	105.6 (2)
O4^i—Na1—Ti1^vi	98.94 (15)	O5—Si2—O3^vi	108.6 (3)
O6^iv—Na1—Ti1^vi	125.06 (15)	O4—Si2—O3^vi	108.6 (3)
O4^iii—Na1—Ti1^vi	79.58 (12)	O6—Si2—Na1^xi	52.78 (16)
O3^v—Na1—Ti1^vi	149.93 (18)	O5—Si2—Na1^xi	129.91 (18)
Si1^i—Na1—Ti1^vi	66.86 (9)	O4—Si2—Na1^xi	121.2 (2)
Si2^iv—Na1—Ti1^vi	140.21 (15)	O3^vi—Si2—Na1^xi	52.79 (16)
O1^i—Na1—Ti1	123.20 (14)	O6—Si2—Na1^i	119.1 (2)
O5^ii—Na1—Ti1	79.62 (12)	O5—Si2—Na1^i	124.56 (19)
O2—Na1—Ti1	39.59 (10)	O4—Si2—Na1^i	46.58 (18)
O3^iii—Na1—Ti1	97.63 (14)	O3^vi—Si2—Na1^i	62.03 (18)
O4^i—Na1—Ti1	133.56 (19)	Na1^xi—Si2—Na1^i	89.92 (8)
O6^iv—Na1—Ti1	37.49 (12)	O6—Si2—Na1^ii	77.3 (2)
O4^iii—Na1—Ti1	149.85 (18)	O5—Si2—Na1^ii	40.11 (17)
O3^v—Na1—Ti1	78.01 (12)	O4—Si2—Na1^ii	135.5 (2)
Si1^i—Na1—Ti1	138.28 (14)	O3^vi—Si2—Na1^ii	111.74 (19)
Si2^iv—Na1—Ti1	66.39 (8)	Na1^xi—Si2—Na1^ii	98.20 (11)
Ti1^vi—Na1—Ti1	111.24 (4)	Na1^i—Si2—Na1^ii	163.09 (11)
O6^iv—Ti1—O1^v	95.59 (9)	Si1—O1—Ti1^v	146.5 (3)
O6^iv—Ti1—O2	97.17 (18)	Si1—O1—Na1^i	96.0 (2)
O1^v—Ti1—O2	90.01 (18)	Ti1^v—O1—Na1^i	93.99 (19)
O6^iv—Ti1—O2^vii	92.57 (19)	Si1—O2—Ti1	122.8 (2)
O1^v—Ti1—O2^vii	169.8 (2)	Si1—O2—Ti1^vii	123.6 (2)
O2—Ti1—O2^vii	82.93 (18)	Ti1—O2—Ti1^vii	97.07 (18)
O6^iv—Ti1—O5^viii	169.8 (2)	Si1—O2—Na1	113.4 (2)
O1^v—Ti1—O5^viii	89.42 (19)	Ti1—O2—Na1	91.38 (18)
O2—Ti1—O5^viii	91.66 (17)	Ti1^vii—O2—Na1	102.59 (19)
O2^vii—Ti1—O5^viii	83.48 (9)	Si1—O3—Si2^viii	139.8 (3)
O6^iv—Ti1—O5^vii	89.82 (18)	Si1—O3—Na1^x	103.4 (2)
O1^v—Ti1—O5^vii	94.58 (18)	Si2^viii—O3—Na1^x	94.6 (2)
O2—Ti1—O5^vii	171.23 (9)	Si1—O3—Na1^v	116.1 (2)
O2^vii—Ti1—O5^vii	91.50 (17)	Si2^viii—O3—Na1^v	87.62 (18)
O5^viii—Ti1—O5^vii	80.94 (19)	Na1^x—O3—Na1^v	113.76 (19)
O6^iv—Ti1—Ti1^vii	96.46 (14)	Si2—O4—Si1	140.1 (4)
O1^v—Ti1—Ti1^vii	131.65 (16)	Si2—O4—Na1^i	104.3 (2)
O2—Ti1—Ti1^vii	42.06 (13)	Si1—O4—Na1^i	92.4 (2)
O2^vii—Ti1—Ti1^vii	40.87 (11)	Si2—O4—Na1^x	115.9 (2)
O5^viii—Ti1—Ti1^vii	86.70 (12)	Si1—O4—Na1^x	89.49 (19)
O5^vii—Ti1—Ti1^vii	132.02 (15)	Na1^i—O4—Na1^x	112.2 (2)
O6^iv—Ti1—Na1^viii	83.09 (14)	Si2—O5—Ti1^vi	123.8 (3)
O1^v—Ti1—Na1^viii	47.88 (14)	Si2—O5—Ti1^vii	120.4 (2)
O2—Ti1—Na1^viii	137.37 (14)	Ti1^vi—O5—Ti1^vii	99.06 (19)
O2^vii—Ti1—Na1^viii	139.69 (15)	Si2—O5—Na1^ii	114.2 (2)
O5^viii—Ti1—Na1^viii	93.84 (13)	Ti1^vi—O5—Na1^ii	103.2 (2)
O5^vii—Ti1—Na1^viii	48.62 (14)	Ti1^vii—O5—Na1^ii	89.91 (19)
Ti1^vii—Ti1—Na1^viii	179.26 (7)	Si2—O6—Ti1^xi	148.9 (3)
O6^iv—Ti1—Na1	49.22 (14)	Si2—O6—Na1^xi	95.7 (2)
O1^v—Ti1—Na1	85.85 (14)	Ti1^xi—O6—Na1^xi	93.3 (2)
O2—Ti1—Na1	49.03 (13)

Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+2, −y+1, −z+2; (iii) x, y+1, z; (iv) x−1, y+1, z; (v) −x+1, −y+1, −z+1; (vi) x+1, y, z; (vii) −x+1, −y+1, −z+2; (viii) x−1, y, z; (ix) −x, −y+1, −z+2; (x) x, y−1, z; (xi) x+1, y−1, z.

(180)

Crystal data

O6NaSi2Ti	Z = 2
Mr = 223.07	F(000) = 218
Triclinic, P1	Dx = 3.393 Mg m^−3
a = 5.2998 (16) Å	Mo Kα radiation, λ = 0.71073 Å
b = 6.5521 (19) Å	Cell parameters from 1734 reflections
c = 6.593 (2) Å	θ = 2.1–32.3°
α = 84.78 (2)°	µ = 2.56 mm^−1
β = 77.69 (2)°	T = 180 K
γ = 77.73 (2)°	Prismatic, blue
V = 218.32 (11) Å^3	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	Rint = 0.032
rotation method scans	θmax = 26.4°, θmin = 3.2°
1511 measured reflections	h = −6→6
811 independent reflections	k = −7→8
682 reflections with I > 2σ(I)	l = −8→8

Refinement

Refinement on F^2	48 parameters
Least-squares matrix: full	8 restraints
R[F^2 > 2σ(F^2)] = 0.027	w = 1/[σ^2(Fo^2) + (0.0351P)^2 + 0.073P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.067	(Δ/σ)max < 0.001
S = 1.07	Δρmax = 0.42 e Å^−3
811 reflections	Δρmin = −0.59 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na1	0.7553 (6)	0.8040 (4)	0.7003 (4)	0.0103 (3)
Ti1	0.2562 (2)	0.59816 (16)	0.90388 (17)	0.00274 (13)*
Si1	0.7416 (3)	0.2996 (3)	0.6155 (3)	0.0033 (3)*
Si2	1.2407 (3)	0.1219 (2)	0.7954 (3)	0.0023 (3)*
O1	0.8054 (6)	0.3936 (6)	0.3836 (6)	0.0062 (8)*
O2	0.6454 (6)	0.4650 (6)	0.7997 (6)	0.0058 (7)*
O3	0.5173 (7)	0.1546 (7)	0.6406 (7)	0.0057 (7)*
O4	1.0136 (7)	0.1394 (7)	0.6581 (7)	0.0038 (7)*
O5	1.1474 (6)	0.3058 (6)	0.9606 (6)	0.0028 (7)*
O6	1.3023 (6)	−0.1116 (6)	0.8921 (6)	0.0045 (8)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na1	0.0080 (5)	0.0040 (12)	0.0168 (14)	0.0029 (7)	−0.0030 (8)	0.0016 (5)

Geometric parameters (Å, º)

Na1—O1^i	2.388 (5)	Si1—O3	1.647 (4)
Na1—O5^ii	2.413 (5)	Si1—O4	1.654 (4)
Na1—O2	2.414 (4)	Si1—Na1^i	3.005 (4)
Na1—O3^iii	2.416 (5)	Si1—Na1^x	3.232 (3)
Na1—O6^iv	2.437 (5)	Si2—O6	1.598 (4)
Na1—O4^i	2.454 (5)	Si2—O5	1.624 (4)
Na1—O4^iii	2.790 (5)	Si2—O4	1.634 (4)
Na1—O3^v	2.884 (5)	Si2—O3^vi	1.641 (4)
Na1—Si1^i	3.005 (4)	Si2—Na1^xi	3.043 (4)
Na1—Si2^iv	3.043 (4)	Si2—Na1^i	3.256 (3)
Na1—Ti1	3.208 (3)	Si2—Na1^ii	3.409 (4)
Na1—Ti1^vi	3.215 (3)	O1—Ti1^v	1.985 (4)
Ti1—O6^iv	1.961 (4)	O1—Na1^i	2.388 (5)
Ti1—O1^v	1.985 (4)	O2—Ti1^viii	2.111 (4)
Ti1—O2	2.056 (4)	O3—Si2^vii	1.641 (4)
Ti1—O5^vii	2.095 (4)	O3—Na1^x	2.416 (5)
Ti1—O2^viii	2.111 (4)	O3—Na1^v	2.884 (5)
Ti1—O5^viii	2.118 (4)	O4—Na1^i	2.454 (5)
Ti1—Ti1^viii	3.103 (2)	O4—Na1^x	2.790 (5)
Ti1—Na1^vii	3.215 (3)	O5—Ti1^vi	2.095 (4)
Ti1—Ti1^ix	3.218 (2)	O5—Ti1^viii	2.118 (4)
Ti1—Na1^viii	3.5365 (17)	O5—Na1^ii	2.413 (5)
Si1—O1	1.590 (4)	O6—Ti1^xi	1.961 (4)
Si1—O2	1.628 (4)	O6—Na1^xi	2.437 (5)
O1^i—Na1—O5^ii	77.78 (14)	O5^vii—Ti1—Na1^vii	93.45 (11)
O1^i—Na1—O2	83.55 (15)	O2^viii—Ti1—Na1^vii	139.32 (12)
O5^ii—Na1—O2	70.87 (8)	O5^viii—Ti1—Na1^vii	48.65 (12)
O1^i—Na1—O3^iii	138.56 (15)	Ti1^viii—Ti1—Na1^vii	179.33 (6)
O5^ii—Na1—O3^iii	119.7 (2)	Na1—Ti1—Na1^vii	111.20 (4)
O2—Na1—O3^iii	136.43 (16)	O6^iv—Ti1—Ti1^ix	129.73 (13)
O1^i—Na1—O6^iv	156.50 (9)	O1^v—Ti1—Ti1^ix	92.61 (11)
O5^ii—Na1—O6^iv	83.71 (15)	O2—Ti1—Ti1^ix	132.55 (12)
O2—Na1—O6^iv	76.74 (15)	O5^vii—Ti1—Ti1^ix	40.45 (10)
O3^iii—Na1—O6^iv	63.95 (15)	O2^viii—Ti1—Ti1^ix	86.44 (10)
O1^i—Na1—O4^i	65.09 (15)	O5^viii—Ti1—Ti1^ix	39.93 (11)
O5^ii—Na1—O4^i	139.61 (17)	Ti1^viii—Ti1—Ti1^ix	113.95 (4)
O2—Na1—O4^i	117.6 (2)	Na1—Ti1—Ti1^ix	177.90 (5)
O3^iii—Na1—O4^i	82.63 (8)	Na1^vii—Ti1—Ti1^ix	66.70 (5)
O6^iv—Na1—O4^i	136.08 (15)	O6^iv—Ti1—Na1^viii	133.60 (14)
O1^i—Na1—O4^iii	82.85 (15)	O1^v—Ti1—Na1^viii	130.69 (14)
O5^ii—Na1—O4^iii	93.22 (16)	O2—Ti1—Na1^viii	87.22 (12)
O2—Na1—O4^iii	160.96 (15)	O5^vii—Ti1—Na1^viii	41.66 (12)
O3^iii—Na1—O4^iii	60.38 (14)	O2^viii—Ti1—Na1^viii	41.77 (12)
O6^iv—Na1—O4^iii	112.79 (18)	O5^viii—Ti1—Na1^viii	84.42 (12)
O4^i—Na1—O4^iii	67.82 (18)	Ti1^viii—Ti1—Na1^viii	57.34 (5)
O1^i—Na1—O3^v	112.49 (18)	Na1—Ti1—Na1^viii	125.49 (4)
O5^ii—Na1—O3^v	157.88 (15)	Na1^vii—Ti1—Na1^viii	123.31 (5)
O2—Na1—O3^v	90.32 (16)	Ti1^ix—Ti1—Na1^viii	56.61 (5)
O3^iii—Na1—O3^v	66.32 (18)	O1—Si1—O2	117.1 (2)
O6^iv—Na1—O3^v	80.61 (14)	O1—Si1—O3	110.6 (2)
O4^i—Na1—O3^v	59.37 (14)	O2—Si1—O3	107.6 (2)
O4^iii—Na1—O3^v	107.19 (7)	O1—Si1—O4	106.9 (2)
O1^i—Na1—Si1^i	31.76 (10)	O2—Si1—O4	108.0 (2)
O5^ii—Na1—Si1^i	107.94 (13)	O3—Si1—O4	106.1 (2)
O2—Na1—Si1^i	102.53 (15)	O1—Si1—Na1^i	52.23 (14)
O3^iii—Na1—Si1^i	111.79 (11)	O2—Si1—Na1^i	132.43 (16)
O6^iv—Na1—Si1^i	167.56 (16)	O3—Si1—Na1^i	119.61 (19)
O4^i—Na1—Si1^i	33.37 (9)	O4—Si1—Na1^i	54.70 (15)
O4^iii—Na1—Si1^i	71.78 (11)	O1—Si1—Na1^x	119.80 (18)
O3^v—Na1—Si1^i	86.98 (12)	O2—Si1—Na1^x	122.84 (17)
O1^i—Na1—Si2^iv	170.01 (14)	O3—Si1—Na1^x	46.54 (15)
O5^ii—Na1—Si2^iv	103.43 (15)	O4—Si1—Na1^x	59.68 (16)
O2—Na1—Si2^iv	106.28 (13)	Na1^i—Si1—Na1^x	88.53 (7)
O3^iii—Na1—Si2^iv	32.47 (10)	O1—Si1—Na1	78.96 (17)
O6^iv—Na1—Si2^iv	31.49 (10)	O2—Si1—Na1	40.08 (15)
O4^i—Na1—Si2^iv	110.48 (11)	O3—Si1—Na1	137.06 (16)
O4^iii—Na1—Si2^iv	87.18 (12)	O4—Si1—Na1	110.74 (17)
O3^v—Na1—Si2^iv	70.01 (11)	Na1^i—Si1—Na1	99.67 (9)
Si1^i—Na1—Si2^iv	142.81 (5)	Na1^x—Si1—Na1	160.08 (10)
O1^i—Na1—Ti1	123.30 (12)	O6—Si2—O5	116.1 (2)
O5^ii—Na1—Ti1	79.67 (10)	O6—Si2—O4	108.8 (2)
O2—Na1—Ti1	39.85 (9)	O5—Si2—O4	108.5 (2)
O3^iii—Na1—Ti1	97.63 (12)	O6—Si2—O3^vi	105.0 (2)
O6^iv—Na1—Ti1	37.61 (10)	O5—Si2—O3^vi	109.0 (2)
O4^i—Na1—Ti1	133.85 (16)	O4—Si2—O3^vi	109.2 (2)
O4^iii—Na1—Ti1	149.79 (16)	O6—Si2—Na1^xi	52.82 (14)
O3^v—Na1—Ti1	78.39 (10)	O5—Si2—Na1^xi	130.36 (15)
Si1^i—Na1—Ti1	138.38 (12)	O4—Si2—Na1^xi	120.92 (19)
Si2^iv—Na1—Ti1	66.45 (7)	O3^vi—Si2—Na1^xi	52.23 (15)
O1^i—Na1—Ti1^vi	38.00 (10)	O6—Si2—Na1^i	119.15 (18)
O5^ii—Na1—Ti1^vi	41.20 (9)	O5—Si2—Na1^i	124.42 (16)
O2—Na1—Ti1^vi	81.88 (10)	O4—Si2—Na1^i	47.03 (15)
O3^iii—Na1—Ti1^vi	135.84 (16)	O3^vi—Si2—Na1^i	62.23 (17)
O6^iv—Na1—Ti1^vi	124.88 (13)	Na1^xi—Si2—Na1^i	89.67 (7)
O4^i—Na1—Ti1^vi	98.85 (13)	O6—Si2—Na1^ii	77.16 (17)
O4^iii—Na1—Ti1^vi	79.20 (10)	O5—Si2—Na1^ii	40.41 (15)
O3^v—Na1—Ti1^vi	149.96 (16)	O4—Si2—Na1^ii	135.42 (17)
Si1^i—Na1—Ti1^vi	66.77 (7)	O3^vi—Si2—Na1^ii	111.54 (18)
Si2^iv—Na1—Ti1^vi	140.02 (13)	Na1^xi—Si2—Na1^ii	98.29 (10)
Ti1—Na1—Ti1^vi	111.20 (4)	Na1^i—Si2—Na1^ii	163.15 (9)
O6^iv—Ti1—O1^v	95.62 (9)	Si1—O1—Ti1^v	146.7 (2)
O6^iv—Ti1—O2	97.08 (16)	Si1—O1—Na1^i	96.01 (18)
O1^v—Ti1—O2	89.62 (16)	Ti1^v—O1—Na1^i	94.19 (17)
O6^iv—Ti1—O5^vii	169.42 (17)	Si1—O2—Ti1	122.9 (2)
O1^v—Ti1—O5^vii	89.42 (17)	Si1—O2—Ti1^viii	123.4 (2)
O2—Ti1—O5^vii	92.24 (15)	Ti1—O2—Ti1^viii	96.23 (17)
O6^iv—Ti1—O2^viii	92.59 (17)	Si1—O2—Na1	114.2 (2)
O1^v—Ti1—O2^viii	170.05 (18)	Ti1—O2—Na1	91.37 (16)
O2—Ti1—O2^viii	83.77 (17)	Ti1^viii—O2—Na1	102.60 (17)
O5^vii—Ti1—O2^viii	83.42 (8)	Si2^vii—O3—Si1	139.8 (3)
O6^iv—Ti1—O5^viii	89.93 (16)	Si2^vii—O3—Na1^x	95.30 (19)
O1^v—Ti1—O5^viii	94.54 (16)	Si1—O3—Na1^x	103.81 (18)
O2—Ti1—O5^viii	171.48 (9)	Si2^vii—O3—Na1^v	87.55 (17)
O5^vii—Ti1—O5^viii	80.39 (16)	Si1—O3—Na1^v	115.3 (2)
O2^viii—Ti1—O5^viii	91.09 (15)	Na1^x—O3—Na1^v	113.68 (18)
O6^iv—Ti1—Ti1^viii	96.45 (11)	Si2—O4—Si1	139.9 (3)
O1^v—Ti1—Ti1^viii	131.74 (13)	Si2—O4—Na1^i	103.82 (19)
O2—Ti1—Ti1^viii	42.56 (12)	Si1—O4—Na1^i	91.93 (19)
O5^vii—Ti1—Ti1^viii	87.02 (10)	Si2—O4—Na1^x	116.7 (2)
O2^viii—Ti1—Ti1^viii	41.21 (10)	Si1—O4—Na1^x	89.54 (16)
O5^viii—Ti1—Ti1^viii	131.94 (13)	Na1^i—O4—Na1^x	112.18 (18)
O6^iv—Ti1—Na1	49.33 (12)	Si2—O5—Ti1^vi	123.6 (2)
O1^v—Ti1—Na1	85.71 (12)	Si2—O5—Ti1^viii	120.5 (2)
O2—Ti1—Na1	48.78 (12)	Ti1^vi—O5—Ti1^viii	99.61 (16)
O5^vii—Ti1—Na1	140.65 (12)	Si2—O5—Na1^ii	113.7 (2)
O2^viii—Ti1—Na1	95.43 (11)	Ti1^vi—O5—Na1^ii	103.11 (17)
O5^viii—Ti1—Na1	138.90 (12)	Ti1^viii—O5—Na1^ii	90.15 (16)
Ti1^viii—Ti1—Na1	68.14 (5)	Si2—O6—Ti1^xi	148.7 (2)
O6^iv—Ti1—Na1^vii	83.17 (11)	Si2—O6—Na1^xi	95.68 (18)
O1^v—Ti1—Na1^vii	47.81 (12)	Ti1^xi—O6—Na1^xi	93.05 (17)
O2—Ti1—Na1^vii	136.90 (13)

Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+2, −y+1, −z+2; (iii) x, y+1, z; (iv) x−1, y+1, z; (v) −x+1, −y+1, −z+1; (vi) x+1, y, z; (vii) x−1, y, z; (viii) −x+1, −y+1, −z+2; (ix) −x, −y+1, −z+2; (x) x, y−1, z; (xi) x+1, y−1, z.

(170)

Crystal data

O6NaSi2Ti	Z = 2
Mr = 223.07	F(000) = 218
Triclinic, P1	Dx = 3.396 Mg m^−3
a = 5.2989 (16) Å	Mo Kα radiation, λ = 0.71073 Å
b = 6.5440 (19) Å	Cell parameters from 1869 reflections
c = 6.596 (2) Å	θ = 2.1–32.3°
α = 84.74 (2)°	µ = 2.56 mm^−1
β = 77.70 (2)°	T = 170 K
γ = 77.74 (2)°	Prismatic, blue
V = 218.12 (11) Å^3	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	Rint = 0.034
rotation method scans	θmax = 26.4°, θmin = 4.0°
1505 measured reflections	h = −6→6
810 independent reflections	k = −7→8
678 reflections with I > 2σ(I)	l = −8→8

Refinement

Refinement on F^2	48 parameters
Least-squares matrix: full	8 restraints
R[F^2 > 2σ(F^2)] = 0.027	w = 1/[σ^2(Fo^2) + (0.0114P)^2 + 0.3602P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.052	(Δ/σ)max < 0.001
S = 1.13	Δρmax = 0.41 e Å^−3
810 reflections	Δρmin = −0.35 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na1	0.7571 (6)	0.8035 (4)	0.6993 (4)	0.0078 (3)
Ti1	0.2575 (2)	0.59798 (17)	0.90401 (18)	0.00097 (13)*
Si1	0.7422 (3)	0.2997 (3)	0.6152 (3)	0.0012 (3)*
Si2	1.2404 (3)	0.1220 (3)	0.7956 (3)	0.0008 (3)*
O1	0.8063 (7)	0.3934 (7)	0.3836 (7)	0.0038 (8)*
O2	0.6460 (6)	0.4643 (6)	0.7998 (6)	0.0014 (7)*
O3	0.5174 (7)	0.1545 (7)	0.6406 (7)	0.0031 (7)*
O4	1.0147 (7)	0.1390 (7)	0.6579 (7)	0.0028 (8)*
O5	1.1477 (7)	0.3062 (7)	0.9608 (7)	0.0034 (7)*
O6	1.3017 (7)	−0.1125 (7)	0.8924 (7)	0.0037 (8)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na1	0.0053 (6)	0.0055 (13)	0.0103 (15)	0.0017 (8)	−0.0001 (9)	0.0011 (5)

Geometric parameters (Å, º)

Na1—O1^i	2.374 (5)	Si1—O3	1.648 (4)
Na1—O5^ii	2.415 (5)	Si1—O4	1.657 (4)
Na1—O2	2.415 (4)	Si1—Na1^i	2.992 (4)
Na1—O3^iii	2.418 (5)	Si1—Na1^x	3.230 (3)
Na1—O4^i	2.444 (5)	Si2—O6	1.601 (4)
Na1—O6^iv	2.450 (5)	Si2—O5	1.626 (5)
Na1—O4^iii	2.786 (5)	Si2—O4	1.630 (4)
Na1—O3^v	2.885 (5)	Si2—O3^vi	1.642 (4)
Na1—Si1^i	2.992 (4)	Si2—Na1^xi	3.053 (4)
Na1—Si2^iv	3.053 (4)	Si2—Na1^i	3.254 (3)
Na1—Ti1	3.209 (3)	Si2—Na1^ii	3.414 (4)
Na1—Ti1^vi	3.216 (3)	O1—Ti1^v	1.990 (4)
Ti1—O6^iv	1.950 (4)	O1—Na1^i	2.374 (5)
Ti1—O1^v	1.990 (4)	O2—Ti1^viii	2.106 (4)
Ti1—O2	2.054 (4)	O3—Si2^vii	1.642 (4)
Ti1—O5^vii	2.091 (4)	O3—Na1^x	2.418 (5)
Ti1—O2^viii	2.106 (4)	O3—Na1^v	2.885 (5)
Ti1—O5^viii	2.124 (4)	O4—Na1^i	2.444 (5)
Ti1—Ti1^viii	3.089 (2)	O4—Na1^x	2.786 (5)
Ti1—Na1^vii	3.216 (3)	O5—Ti1^vi	2.091 (4)
Ti1—Ti1^ix	3.227 (2)	O5—Ti1^viii	2.124 (4)
Ti1—Na1^viii	3.5346 (18)	O5—Na1^ii	2.415 (5)
Si1—O1	1.588 (4)	O6—Ti1^xi	1.950 (4)
Si1—O2	1.627 (4)	O6—Na1^xi	2.450 (5)
O1^i—Na1—O5^ii	77.98 (15)	O5^vii—Ti1—Na1^vii	93.26 (11)
O1^i—Na1—O2	83.65 (15)	O2^viii—Ti1—Na1^vii	139.19 (13)
O5^ii—Na1—O2	70.73 (8)	O5^viii—Ti1—Na1^vii	48.67 (13)
O1^i—Na1—O3^iii	138.86 (16)	Ti1^viii—Ti1—Na1^vii	179.33 (7)
O5^ii—Na1—O3^iii	119.4 (2)	Na1—Ti1—Na1^vii	111.14 (5)
O2—Na1—O3^iii	136.11 (17)	O6^iv—Ti1—Ti1^ix	129.36 (14)
O1^i—Na1—O4^i	65.43 (15)	O1^v—Ti1—Ti1^ix	92.25 (12)
O5^ii—Na1—O4^i	140.14 (18)	O2—Ti1—Ti1^ix	132.60 (13)
O2—Na1—O4^i	117.8 (2)	O5^vii—Ti1—Ti1^ix	40.44 (10)
O3^iii—Na1—O4^i	82.64 (8)	O2^viii—Ti1—Ti1^ix	86.44 (10)
O1^i—Na1—O6^iv	156.31 (9)	O5^viii—Ti1—Ti1^ix	39.67 (12)
O5^ii—Na1—O6^iv	83.37 (16)	Ti1^viii—Ti1—Ti1^ix	114.06 (4)
O2—Na1—O6^iv	76.44 (15)	Na1—Ti1—Ti1^ix	177.67 (5)
O3^iii—Na1—O6^iv	63.83 (15)	Na1^vii—Ti1—Ti1^ix	66.55 (5)
O4^i—Na1—O6^iv	135.90 (16)	O6^iv—Ti1—Na1^viii	133.58 (15)
O1^i—Na1—O4^iii	82.94 (15)	O1^v—Ti1—Na1^viii	130.66 (14)
O5^ii—Na1—O4^iii	93.24 (17)	O2—Ti1—Na1^viii	87.46 (13)
O2—Na1—O4^iii	160.96 (15)	O5^vii—Ti1—Na1^viii	41.71 (13)
O3^iii—Na1—O4^iii	60.54 (14)	O2^viii—Ti1—Na1^viii	41.82 (12)
O4^i—Na1—O4^iii	67.97 (19)	O5^viii—Ti1—Na1^viii	84.16 (13)
O6^iv—Na1—O4^iii	112.82 (18)	Ti1^viii—Ti1—Na1^viii	57.48 (6)
O1^i—Na1—O3^v	112.71 (18)	Na1—Ti1—Na1^viii	125.73 (5)
O5^ii—Na1—O3^v	157.56 (15)	Na1^vii—Ti1—Na1^viii	123.13 (5)
O2—Na1—O3^v	90.33 (16)	Ti1^ix—Ti1—Na1^viii	56.58 (5)
O3^iii—Na1—O3^v	66.26 (18)	O1—Si1—O2	117.4 (2)
O4^i—Na1—O3^v	59.32 (15)	O1—Si1—O3	110.7 (2)
O6^iv—Na1—O3^v	80.47 (15)	O2—Si1—O3	107.3 (2)
O4^iii—Na1—O3^v	107.32 (8)	O1—Si1—O4	106.8 (2)
O1^i—Na1—Si1^i	31.85 (11)	O2—Si1—O4	107.9 (2)
O5^ii—Na1—Si1^i	108.25 (14)	O3—Si1—O4	106.1 (2)
O2—Na1—Si1^i	102.70 (15)	O1—Si1—Na1^i	52.11 (14)
O3^iii—Na1—Si1^i	112.02 (11)	O2—Si1—Na1^i	132.59 (15)
O4^i—Na1—Si1^i	33.61 (10)	O3—Si1—Na1^i	119.66 (19)
O6^iv—Na1—Si1^i	167.54 (17)	O4—Si1—Na1^i	54.74 (16)
O4^iii—Na1—Si1^i	71.90 (12)	O1—Si1—Na1^x	119.63 (19)
O3^v—Na1—Si1^i	87.13 (12)	O2—Si1—Na1^x	122.71 (18)
O1^i—Na1—Si2^iv	170.16 (15)	O3—Si1—Na1^x	46.67 (15)
O5^ii—Na1—Si2^iv	103.06 (15)	O4—Si1—Na1^x	59.58 (17)
O2—Na1—Si2^iv	106.00 (13)	Na1^i—Si1—Na1^x	88.39 (7)
O3^iii—Na1—Si2^iv	32.37 (10)	O1—Si1—Na1	79.02 (18)
O4^i—Na1—Si2^iv	110.37 (11)	O2—Si1—Na1	40.35 (15)
O6^iv—Na1—Si2^iv	31.48 (11)	O3—Si1—Na1	137.08 (17)
O4^iii—Na1—Si2^iv	87.22 (12)	O4—Si1—Na1	110.68 (18)
O3^v—Na1—Si2^iv	69.92 (11)	Na1^i—Si1—Na1	99.61 (10)
Si1^i—Na1—Si2^iv	142.95 (5)	Na1^x—Si1—Na1	160.12 (11)
O1^i—Na1—Ti1	123.32 (13)	O6—Si2—O5	116.1 (3)
O5^ii—Na1—Ti1	79.35 (10)	O6—Si2—O4	108.6 (2)
O2—Na1—Ti1	39.78 (9)	O5—Si2—O4	108.9 (2)
O3^iii—Na1—Ti1	97.35 (13)	O6—Si2—O3^vi	105.0 (2)
O4^i—Na1—Ti1	133.84 (17)	O5—Si2—O3^vi	109.0 (2)
O6^iv—Na1—Ti1	37.38 (11)	O4—Si2—O3^vi	109.1 (3)
O4^iii—Na1—Ti1	149.56 (17)	O6—Si2—Na1^xi	53.01 (15)
O3^v—Na1—Ti1	78.35 (10)	O5—Si2—Na1^xi	130.28 (16)
Si1^i—Na1—Ti1	138.50 (13)	O4—Si2—Na1^xi	120.6 (2)
Si2^iv—Na1—Ti1	66.24 (7)	O3^vi—Si2—Na1^xi	52.01 (15)
O1^i—Na1—Ti1^vi	38.10 (11)	O6—Si2—Na1^i	119.10 (19)
O5^ii—Na1—Ti1^vi	41.35 (10)	O5—Si2—Na1^i	124.41 (18)
O2—Na1—Ti1^vi	81.97 (10)	O4—Si2—Na1^i	46.72 (16)
O3^iii—Na1—Ti1^vi	135.82 (16)	O3^vi—Si2—Na1^i	62.34 (17)
O4^i—Na1—Ti1^vi	99.22 (13)	Na1^xi—Si2—Na1^i	89.64 (7)
O6^iv—Na1—Ti1^vi	124.68 (14)	O6—Si2—Na1^ii	77.28 (18)
O4^iii—Na1—Ti1^vi	79.14 (11)	O5—Si2—Na1^ii	40.28 (16)
O3^v—Na1—Ti1^vi	150.28 (16)	O4—Si2—Na1^ii	135.51 (18)
Si1^i—Na1—Ti1^vi	66.94 (8)	O3^vi—Si2—Na1^ii	111.69 (18)
Si2^iv—Na1—Ti1^vi	139.80 (13)	Na1^xi—Si2—Na1^ii	98.51 (10)
Ti1—Na1—Ti1^vi	111.14 (5)	Na1^i—Si2—Na1^ii	163.15 (10)
O6^iv—Ti1—O1^v	95.61 (9)	Si1—O1—Ti1^v	146.5 (2)
O6^iv—Ti1—O2	97.45 (16)	Si1—O1—Na1^i	96.04 (18)
O1^v—Ti1—O2	89.82 (16)	Ti1^v—O1—Na1^i	94.51 (18)
O6^iv—Ti1—O5^vii	169.10 (18)	Si1—O2—Ti1	123.0 (2)
O1^v—Ti1—O5^vii	89.29 (18)	Si1—O2—Ti1^viii	123.9 (2)
O2—Ti1—O5^vii	92.29 (15)	Ti1—O2—Ti1^viii	95.89 (17)
O6^iv—Ti1—O2^viii	92.57 (17)	Si1—O2—Na1	113.8 (2)
O1^v—Ti1—O2^viii	170.38 (18)	Ti1—O2—Na1	91.41 (17)
O2—Ti1—O2^viii	84.11 (17)	Ti1^viii—O2—Na1	102.63 (17)
O5^vii—Ti1—O2^viii	83.52 (9)	Si2^vii—O3—Si1	139.8 (3)
O6^iv—Ti1—O5^viii	89.81 (17)	Si2^vii—O3—Na1^x	95.6 (2)
O1^v—Ti1—O5^viii	94.11 (17)	Si1—O3—Na1^x	103.60 (19)
O2—Ti1—O5^viii	171.38 (10)	Si2^vii—O3—Na1^v	87.38 (17)
O5^vii—Ti1—O5^viii	80.11 (17)	Si1—O3—Na1^v	115.3 (2)
O2^viii—Ti1—O5^viii	90.96 (16)	Na1^x—O3—Na1^v	113.74 (18)
O6^iv—Ti1—Ti1^viii	96.71 (12)	Si2—O4—Si1	139.7 (3)
O1^v—Ti1—Ti1^viii	132.08 (14)	Si2—O4—Na1^i	104.2 (2)
O2—Ti1—Ti1^viii	42.71 (12)	Si1—O4—Na1^i	91.6 (2)
O5^vii—Ti1—Ti1^viii	87.11 (10)	Si2—O4—Na1^x	116.8 (2)
O2^viii—Ti1—Ti1^viii	41.40 (10)	Si1—O4—Na1^x	89.57 (17)
O5^viii—Ti1—Ti1^viii	131.97 (14)	Na1^i—O4—Na1^x	112.03 (19)
O6^iv—Ti1—Na1	49.68 (13)	Si2—O5—Ti1^vi	123.6 (2)
O1^v—Ti1—Na1	85.83 (12)	Si2—O5—Ti1^viii	120.2 (2)
O2—Ti1—Na1	48.80 (12)	Ti1^vi—O5—Ti1^viii	99.89 (17)
O5^vii—Ti1—Na1	140.70 (13)	Si2—O5—Na1^ii	113.9 (2)
O2^viii—Ti1—Na1	95.67 (11)	Ti1^vi—O5—Na1^ii	103.11 (18)
O5^viii—Ti1—Na1	139.10 (13)	Ti1^viii—O5—Na1^ii	89.99 (18)
Ti1^viii—Ti1—Na1	68.25 (5)	Si2—O6—Ti1^xi	149.0 (3)
O6^iv—Ti1—Na1^vii	83.02 (12)	Si2—O6—Na1^xi	95.52 (19)
O1^v—Ti1—Na1^vii	47.40 (12)	Ti1^xi—O6—Na1^xi	92.94 (18)
O2—Ti1—Na1^vii	136.70 (13)

Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+2, −y+1, −z+2; (iii) x, y+1, z; (iv) x−1, y+1, z; (v) −x+1, −y+1, −z+1; (vi) x+1, y, z; (vii) x−1, y, z; (viii) −x+1, −y+1, −z+2; (ix) −x, −y+1, −z+2; (x) x, y−1, z; (xi) x+1, y−1, z.

(160)

Crystal data

O6NaSi2Ti	F(000) = 218
Mr = 223.07	Dx = 3.397 Mg m^−3
a = 5.2993 (16) Å	Mo Kα radiation, λ = 0.71073 Å
b = 6.5396 (19) Å	Cell parameters from 1856 reflections
c = 6.600 (2) Å	θ = 2.1–32.3°
α = 84.70 (2)°	µ = 2.56 mm^−1
β = 77.70 (2)°	T = 160 K
γ = 77.75 (2)°	Prismatic, blue
V = 218.11 (11) Å^3	0.17 × 0.10 × 0.08 mm
Z = 2

Data collection

STOE IPDS 2 diffractometer	Rint = 0.033
rotation method scans	θmax = 26.4°, θmin = 4.0°
1507 measured reflections	h = −6→6
811 independent reflections	k = −7→8
677 reflections with I > 2σ(I)	l = −8→8

Refinement

Refinement on F^2	48 parameters
Least-squares matrix: full	8 restraints
R[F^2 > 2σ(F^2)] = 0.026	w = 1/[σ^2(Fo^2) + (0.013P)^2 + 0.3959P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.053	(Δ/σ)max < 0.001
S = 1.10	Δρmax = 0.41 e Å^−3
811 reflections	Δρmin = −0.39 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na1	0.7579 (6)	0.8034 (4)	0.6992 (4)	0.0075 (3)
Ti1	0.2571 (2)	0.59790 (17)	0.90436 (18)	0.00119 (13)*
Si1	0.7417 (3)	0.3002 (2)	0.6149 (2)	0.0014 (3)*
Si2	1.2409 (3)	0.1223 (2)	0.7951 (3)	0.0010 (3)*
O1	0.8053 (6)	0.3932 (6)	0.3832 (6)	0.0038 (8)*
O2	0.6455 (6)	0.4644 (6)	0.8000 (6)	0.0025 (7)*
O3	0.5181 (7)	0.1547 (6)	0.6409 (7)	0.0027 (7)*
O4	1.0128 (7)	0.1391 (7)	0.6579 (7)	0.0038 (7)*
O5	1.1481 (6)	0.3055 (6)	0.9607 (6)	0.0027 (7)*
O6	1.3031 (7)	−0.1125 (6)	0.8932 (7)	0.0036 (8)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na1	0.0059 (6)	0.0047 (12)	0.0098 (14)	0.0022 (8)	−0.0008 (8)	0.0011 (5)

Geometric parameters (Å, º)

Na1—O1^i	2.374 (5)	Si1—O3	1.644 (4)
Na1—O5^ii	2.413 (5)	Si1—O4	1.652 (4)
Na1—O2	2.415 (4)	Si1—Na1^i	2.990 (4)
Na1—O3^iii	2.418 (5)	Si1—Na1^x	3.231 (3)
Na1—O4^i	2.446 (5)	Si2—O6	1.606 (4)
Na1—O6^iv	2.451 (5)	Si2—O5	1.623 (4)
Na1—O4^iii	2.777 (5)	Si2—O4	1.639 (4)
Na1—O3^v	2.893 (5)	Si2—O3^vi	1.641 (4)
Na1—Si1^i	2.990 (4)	Si2—Na1^xi	3.056 (4)
Na1—Si2^iv	3.056 (4)	Si2—Na1^i	3.253 (3)
Na1—Ti1^vi	3.212 (3)	Si2—Na1^ii	3.418 (4)
Na1—Ti1	3.214 (3)	O1—Ti1^v	1.988 (4)
Ti1—O6^iv	1.953 (4)	O1—Na1^i	2.374 (5)
Ti1—O1^v	1.988 (4)	O2—Ti1^viii	2.105 (4)
Ti1—O2	2.053 (4)	O3—Si2^vii	1.641 (4)
Ti1—O5^vii	2.092 (4)	O3—Na1^x	2.418 (5)
Ti1—O2^viii	2.105 (4)	O3—Na1^v	2.893 (5)
Ti1—O5^viii	2.125 (4)	O4—Na1^i	2.446 (5)
Ti1—Ti1^viii	3.089 (2)	O4—Na1^x	2.777 (5)
Ti1—Na1^vii	3.212 (3)	O5—Ti1^vi	2.092 (4)
Ti1—Ti1^ix	3.221 (2)	O5—Ti1^viii	2.125 (4)
Ti1—Na1^viii	3.5313 (18)	O5—Na1^ii	2.413 (5)
Si1—O1	1.587 (4)	O6—Ti1^xi	1.953 (4)
Si1—O2	1.628 (4)	O6—Na1^xi	2.451 (5)
O1^i—Na1—O5^ii	78.11 (15)	O5^vii—Ti1—Na1	140.49 (13)
O1^i—Na1—O2	83.88 (15)	O2^viii—Ti1—Na1	95.56 (11)
O5^ii—Na1—O2	70.84 (8)	O5^viii—Ti1—Na1	139.04 (13)
O1^i—Na1—O3^iii	138.87 (15)	Ti1^viii—Ti1—Na1	68.11 (5)
O5^ii—Na1—O3^iii	119.2 (2)	Na1^vii—Ti1—Na1	111.11 (4)
O2—Na1—O3^iii	135.92 (17)	O6^iv—Ti1—Ti1^ix	129.54 (13)
O1^i—Na1—O4^i	65.35 (15)	O1^v—Ti1—Ti1^ix	92.40 (12)
O5^ii—Na1—O4^i	140.17 (17)	O2—Ti1—Ti1^ix	132.66 (12)
O2—Na1—O4^i	117.9 (2)	O5^vii—Ti1—Ti1^ix	40.58 (10)
O3^iii—Na1—O4^i	82.80 (8)	O2^viii—Ti1—Ti1^ix	86.60 (10)
O1^i—Na1—O6^iv	156.22 (9)	O5^viii—Ti1—Ti1^ix	39.80 (11)
O5^ii—Na1—O6^iv	83.03 (15)	Ti1^viii—Ti1—Ti1^ix	114.20 (4)
O2—Na1—O6^iv	76.30 (15)	Na1^vii—Ti1—Ti1^ix	66.58 (5)
O3^iii—Na1—O6^iv	63.82 (15)	Na1—Ti1—Ti1^ix	177.66 (5)
O4^i—Na1—O6^iv	136.18 (16)	O6^iv—Ti1—Na1^viii	133.39 (15)
O1^i—Na1—O4^iii	83.09 (15)	O1^v—Ti1—Na1^viii	130.78 (14)
O5^ii—Na1—O4^iii	93.29 (17)	O2—Ti1—Na1^viii	87.57 (12)
O2—Na1—O4^iii	161.26 (15)	O5^vii—Ti1—Na1^viii	41.75 (12)
O3^iii—Na1—O4^iii	60.31 (14)	O2^viii—Ti1—Na1^viii	41.87 (12)
O4^i—Na1—O4^iii	67.98 (18)	O5^viii—Ti1—Na1^viii	84.23 (12)
O6^iv—Na1—O4^iii	112.55 (18)	Ti1^viii—Ti1—Na1^viii	57.62 (5)
O1^i—Na1—O3^v	112.87 (17)	Na1^vii—Ti1—Na1^viii	123.16 (5)
O5^ii—Na1—O3^v	157.40 (15)	Na1—Ti1—Na1^viii	125.73 (4)
O2—Na1—O3^v	90.17 (15)	Ti1^ix—Ti1—Na1^viii	56.58 (5)
O3^iii—Na1—O3^v	66.35 (17)	O1—Si1—O2	117.8 (2)
O4^i—Na1—O3^v	59.55 (14)	O1—Si1—O3	110.6 (2)
O6^iv—Na1—O3^v	80.55 (14)	O2—Si1—O3	107.2 (2)
O4^iii—Na1—O3^v	107.30 (7)	O1—Si1—O4	106.9 (2)
O1^i—Na1—Si1^i	31.85 (10)	O2—Si1—O4	107.8 (2)
O5^ii—Na1—Si1^i	108.40 (13)	O3—Si1—O4	105.7 (2)
O2—Na1—Si1^i	102.78 (15)	O1—Si1—Na1^i	52.15 (14)
O3^iii—Na1—Si1^i	112.15 (11)	O2—Si1—Na1^i	132.71 (15)
O4^i—Na1—Si1^i	33.53 (10)	O3—Si1—Na1^i	119.59 (18)
O6^iv—Na1—Si1^i	167.72 (16)	O4—Si1—Na1^i	54.84 (16)
O4^iii—Na1—Si1^i	72.14 (12)	O1—Si1—Na1^x	119.39 (18)
O3^v—Na1—Si1^i	87.22 (12)	O2—Si1—Na1^x	122.57 (17)
O1^i—Na1—Si2^iv	170.08 (14)	O3—Si1—Na1^x	46.62 (15)
O5^ii—Na1—Si2^iv	102.90 (15)	O4—Si1—Na1^x	59.24 (16)
O2—Na1—Si2^iv	105.84 (13)	Na1^i—Si1—Na1^x	88.23 (7)
O3^iii—Na1—Si2^iv	32.30 (10)	O1—Si1—Na1	79.31 (17)
O4^i—Na1—Si2^iv	110.45 (11)	O2—Si1—Na1	40.48 (15)
O6^iv—Na1—Si2^iv	31.54 (10)	O3—Si1—Na1	137.27 (16)
O4^iii—Na1—Si2^iv	87.00 (12)	O4—Si1—Na1	110.73 (17)
O3^v—Na1—Si2^iv	69.84 (11)	Na1^i—Si1—Na1	99.63 (9)
Si1^i—Na1—Si2^iv	142.97 (5)	Na1^x—Si1—Na1	159.98 (10)
O1^i—Na1—Ti1^vi	38.10 (11)	O6—Si2—O5	115.6 (2)
O5^ii—Na1—Ti1^vi	41.42 (10)	O6—Si2—O4	108.8 (2)
O2—Na1—Ti1^vi	82.06 (9)	O5—Si2—O4	108.8 (2)
O3^iii—Na1—Ti1^vi	135.78 (15)	O6—Si2—O3^vi	104.8 (2)
O4^i—Na1—Ti1^vi	99.19 (13)	O5—Si2—O3^vi	109.1 (2)
O6^iv—Na1—Ti1^vi	124.42 (13)	O4—Si2—O3^vi	109.5 (2)
O4^iii—Na1—Ti1^vi	79.37 (11)	O6—Si2—Na1^xi	52.96 (14)
O3^v—Na1—Ti1^vi	150.40 (15)	O5—Si2—Na1^xi	130.20 (15)
Si1^i—Na1—Ti1^vi	67.01 (7)	O4—Si2—Na1^xi	120.82 (19)
Si2^iv—Na1—Ti1^vi	139.76 (13)	O3^vi—Si2—Na1^xi	51.93 (15)
O1^i—Na1—Ti1	123.45 (12)	O6—Si2—Na1^i	119.34 (18)
O5^ii—Na1—Ti1	79.30 (10)	O5—Si2—Na1^i	124.69 (17)
O2—Na1—Ti1	39.69 (9)	O4—Si2—Na1^i	46.91 (16)
O3^iii—Na1—Ti1	97.24 (12)	O3^vi—Si2—Na1^i	62.65 (16)
O4^i—Na1—Ti1	133.97 (16)	Na1^xi—Si2—Na1^i	89.74 (7)
O6^iv—Na1—Ti1	37.35 (11)	O6—Si2—Na1^ii	76.96 (17)
O4^iii—Na1—Ti1	149.30 (16)	O5—Si2—Na1^ii	40.05 (15)
O3^v—Na1—Ti1	78.23 (10)	O4—Si2—Na1^ii	135.12 (18)
Si1^i—Na1—Ti1	138.51 (12)	O3^vi—Si2—Na1^ii	111.66 (17)
Si2^iv—Na1—Ti1	66.17 (7)	Na1^xi—Si2—Na1^ii	98.56 (9)
Ti1^vi—Na1—Ti1	111.11 (4)	Na1^i—Si2—Na1^ii	163.27 (10)
O6^iv—Ti1—O1^v	95.71 (9)	Si1—O1—Ti1^v	147.0 (2)
O6^iv—Ti1—O2	97.19 (16)	Si1—O1—Na1^i	96.00 (18)
O1^v—Ti1—O2	89.60 (16)	Ti1^v—O1—Na1^i	94.43 (17)
O6^iv—Ti1—O5^vii	169.34 (17)	Si1—O2—Ti1	123.02 (19)
O1^v—Ti1—O5^vii	89.36 (17)	Si1—O2—Ti1^viii	123.9 (2)
O2—Ti1—O5^vii	92.21 (15)	Ti1—O2—Ti1^viii	95.95 (17)
O6^iv—Ti1—O2^viii	92.32 (17)	Si1—O2—Na1	113.6 (2)
O1^v—Ti1—O2^viii	170.33 (18)	Ti1—O2—Na1	91.63 (16)
O2—Ti1—O2^viii	84.05 (17)	Ti1^viii—O2—Na1	102.54 (17)
O5^vii—Ti1—O2^viii	83.62 (8)	Si2^vii—O3—Si1	139.9 (3)
O6^iv—Ti1—O5^viii	89.87 (16)	Si2^vii—O3—Na1^x	95.77 (19)
O1^v—Ti1—O5^viii	94.28 (16)	Si1—O3—Na1^x	103.77 (18)
O2—Ti1—O5^viii	171.58 (10)	Si2^vii—O3—Na1^v	87.09 (16)
O5^vii—Ti1—O5^viii	80.38 (17)	Si1—O3—Na1^v	115.25 (19)
O2^viii—Ti1—O5^viii	91.12 (15)	Na1^x—O3—Na1^v	113.65 (17)
O6^iv—Ti1—Ti1^viii	96.36 (12)	Si2—O4—Si1	139.7 (3)
O1^v—Ti1—Ti1^viii	131.84 (14)	Si2—O4—Na1^i	103.8 (2)
O2—Ti1—Ti1^viii	42.67 (11)	Si1—O4—Na1^i	91.63 (19)
O5^vii—Ti1—Ti1^viii	87.13 (10)	Si2—O4—Na1^x	116.8 (2)
O2^viii—Ti1—Ti1^viii	41.38 (10)	Si1—O4—Na1^x	90.01 (17)
O5^viii—Ti1—Ti1^viii	132.12 (13)	Na1^i—O4—Na1^x	112.02 (18)
O6^iv—Ti1—Na1^vii	83.30 (12)	Si2—O5—Ti1^vi	123.5 (2)
O1^v—Ti1—Na1^vii	47.47 (12)	Si2—O5—Ti1^viii	120.4 (2)
O2—Ti1—Na1^vii	136.56 (13)	Ti1^vi—O5—Ti1^viii	99.62 (17)
O5^vii—Ti1—Na1^vii	93.35 (11)	Si2—O5—Na1^ii	114.3 (2)
O2^viii—Ti1—Na1^vii	139.39 (13)	Ti1^vi—O5—Na1^ii	103.00 (17)
O5^viii—Ti1—Na1^vii	48.70 (12)	Ti1^viii—O5—Na1^ii	89.87 (17)
Ti1^viii—Ti1—Na1^vii	179.13 (7)	Si2—O6—Ti1^xi	148.4 (2)
O6^iv—Ti1—Na1	49.59 (13)	Si2—O6—Na1^xi	95.50 (18)
O1^v—Ti1—Na1	85.62 (12)	Ti1^xi—O6—Na1^xi	93.06 (17)
O2—Ti1—Na1	48.68 (12)

Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+2, −y+1, −z+2; (iii) x, y+1, z; (iv) x−1, y+1, z; (v) −x+1, −y+1, −z+1; (vi) x+1, y, z; (vii) x−1, y, z; (viii) −x+1, −y+1, −z+2; (ix) −x, −y+1, −z+2; (x) x, y−1, z; (xi) x+1, y−1, z.

(150)

Crystal data

O6NaSi2Ti	Z = 2
Mr = 223.07	F(000) = 218
Triclinic, P1	Dx = 3.396 Mg m^−3
a = 5.2988 (18) Å	Mo Kα radiation, λ = 0.71073 Å
b = 6.538 (2) Å	Cell parameters from 1822 reflections
c = 6.602 (2) Å	θ = 2.1–32.3°
α = 84.66 (3)°	µ = 2.56 mm^−1
β = 77.70 (3)°	T = 150 K
γ = 77.76 (3)°	Prismatic, blue
V = 218.12 (12) Å^3	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	Rint = 0.033
rotation method scans	θmax = 24.7°, θmin = 3.2°
1291 measured reflections	h = −6→6
692 independent reflections	k = −7→7
604 reflections with I > 2σ(I)	l = −7→7

Refinement

Refinement on F^2	48 parameters
Least-squares matrix: full	8 restraints
R[F^2 > 2σ(F^2)] = 0.029	w = 1/[σ^2(Fo^2) + (0.0203P)^2 + 0.5932P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.062	(Δ/σ)max < 0.001
S = 1.07	Δρmax = 0.43 e Å^−3
692 reflections	Δρmin = −0.59 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na1	0.7577 (6)	0.8040 (4)	0.7003 (5)	0.0084 (4)
Ti1	0.2577 (3)	0.59803 (18)	0.90487 (19)	0.00202 (17)*
Si1	0.7423 (3)	0.3003 (3)	0.6144 (3)	0.0016 (3)*
Si2	1.2403 (3)	0.1224 (3)	0.7951 (3)	0.0017 (3)*
O1	0.8068 (7)	0.3939 (7)	0.3822 (7)	0.0033 (9)*
O2	0.6459 (7)	0.4646 (7)	0.8003 (7)	0.0032 (8)*
O3	0.5164 (7)	0.1548 (7)	0.6403 (7)	0.0039 (8)*
O4	1.0142 (7)	0.1397 (7)	0.6581 (7)	0.0035 (8)*
O5	1.1477 (7)	0.3055 (7)	0.9602 (7)	0.0043 (9)*
O6	1.3021 (7)	−0.1120 (7)	0.8921 (7)	0.0036 (9)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na1	0.0058 (7)	0.0038 (14)	0.0139 (16)	0.0029 (9)	−0.0024 (10)	−0.0002 (6)

Geometric parameters (Å, º)

Na1—O1^i	2.372 (5)	Si1—O3	1.653 (4)
Na1—O5^ii	2.411 (5)	Si1—O4	1.655 (4)
Na1—O2	2.414 (5)	Si1—Na1^i	2.992 (4)
Na1—O3^iii	2.420 (5)	Si1—Na1^x	3.229 (3)
Na1—O6^iv	2.449 (5)	Si2—O6	1.600 (4)
Na1—O4^i	2.450 (5)	Si2—O5	1.621 (5)
Na1—O4^iii	2.781 (5)	Si2—O4	1.628 (4)
Na1—O3^v	2.890 (5)	Si2—O3^vi	1.638 (4)
Na1—Si1^i	2.992 (4)	Si2—Na1^xi	3.055 (4)
Na1—Si2^iv	3.055 (4)	Si2—Na1^i	3.259 (3)
Na1—Ti1	3.210 (3)	Si2—Na1^ii	3.413 (4)
Na1—Ti1^vi	3.214 (3)	O1—Ti1^v	1.990 (4)
Ti1—O6^iv	1.951 (4)	O1—Na1^i	2.372 (5)
Ti1—O1^v	1.990 (4)	O2—Ti1^viii	2.099 (4)
Ti1—O2	2.053 (4)	O3—Si2^vii	1.638 (4)
Ti1—O5^vii	2.094 (5)	O3—Na1^x	2.420 (5)
Ti1—O2^viii	2.099 (4)	O3—Na1^v	2.890 (5)
Ti1—O5^viii	2.126 (4)	O4—Na1^i	2.450 (5)
Ti1—Ti1^viii	3.082 (2)	O4—Na1^x	2.781 (5)
Ti1—Na1^vii	3.214 (3)	O5—Ti1^vi	2.094 (4)
Ti1—Ti1^ix	3.225 (2)	O5—Ti1^viii	2.126 (4)
Ti1—Na1^viii	3.526 (2)	O5—Na1^ii	2.411 (5)
Si1—O1	1.592 (4)	O6—Ti1^xi	1.951 (4)
Si1—O2	1.633 (5)	O6—Na1^xi	2.449 (5)
O1^i—Na1—O5^ii	78.04 (16)	O5^vii—Ti1—Na1^vii	93.15 (12)
O1^i—Na1—O2	83.51 (16)	O2^viii—Ti1—Na1^vii	139.24 (14)
O5^ii—Na1—O2	70.90 (9)	O5^viii—Ti1—Na1^vii	48.62 (14)
O1^i—Na1—O3^iii	139.19 (16)	Ti1^viii—Ti1—Na1^vii	179.18 (8)
O5^ii—Na1—O3^iii	119.6 (2)	Na1—Ti1—Na1^vii	111.14 (5)
O2—Na1—O3^iii	135.79 (17)	O6^iv—Ti1—Ti1^ix	129.43 (14)
O1^i—Na1—O6^iv	156.29 (10)	O1^v—Ti1—Ti1^ix	91.87 (12)
O5^ii—Na1—O6^iv	83.47 (17)	O2—Ti1—Ti1^ix	132.67 (14)
O2—Na1—O6^iv	76.44 (16)	O5^vii—Ti1—Ti1^ix	40.52 (11)
O3^iii—Na1—O6^iv	63.64 (16)	O2^viii—Ti1—Ti1^ix	86.64 (11)
O1^i—Na1—O4^i	65.47 (16)	O5^viii—Ti1—Ti1^ix	39.79 (12)
O5^ii—Na1—O4^i	140.31 (18)	Ti1^viii—Ti1—Ti1^ix	114.31 (5)
O2—Na1—O4^i	117.5 (2)	Na1—Ti1—Ti1^ix	177.53 (6)
O3^iii—Na1—O4^i	82.75 (9)	Na1^vii—Ti1—Ti1^ix	66.41 (6)
O6^iv—Na1—O4^i	135.69 (16)	O6^iv—Ti1—Na1^viii	133.92 (15)
O1^i—Na1—O4^iii	83.23 (15)	O1^v—Ti1—Na1^viii	130.33 (14)
O5^ii—Na1—O4^iii	93.34 (18)	O2—Ti1—Na1^viii	87.58 (13)
O2—Na1—O4^iii	161.22 (16)	O5^vii—Ti1—Na1^viii	41.83 (13)
O3^iii—Na1—O4^iii	60.69 (15)	O2^viii—Ti1—Na1^viii	41.93 (13)
O6^iv—Na1—O4^iii	112.79 (19)	O5^viii—Ti1—Na1^viii	84.25 (14)
O4^i—Na1—O4^iii	68.21 (19)	Ti1^viii—Ti1—Na1^viii	57.67 (6)
O1^i—Na1—O3^v	112.52 (19)	Na1—Ti1—Na1^viii	125.80 (5)
O5^ii—Na1—O3^v	157.54 (16)	Na1^vii—Ti1—Na1^viii	123.06 (5)
O2—Na1—O3^v	90.11 (17)	Ti1^ix—Ti1—Na1^viii	56.64 (5)
O3^iii—Na1—O3^v	66.11 (19)	O1—Si1—O2	117.8 (3)
O6^iv—Na1—O3^v	80.39 (15)	O1—Si1—O3	110.7 (2)
O4^i—Na1—O3^v	59.09 (15)	O2—Si1—O3	107.1 (2)
O4^iii—Na1—O3^v	107.26 (9)	O1—Si1—O4	106.9 (2)
O1^i—Na1—Si1^i	31.94 (11)	O2—Si1—O4	107.5 (2)
O5^ii—Na1—Si1^i	108.39 (14)	O3—Si1—O4	106.2 (3)
O2—Na1—Si1^i	102.53 (16)	O1—Si1—Na1^i	52.02 (15)
O3^iii—Na1—Si1^i	112.15 (12)	O2—Si1—Na1^i	132.89 (17)
O6^iv—Na1—Si1^i	167.24 (17)	O3—Si1—Na1^i	119.6 (2)
O4^i—Na1—Si1^i	33.57 (10)	O4—Si1—Na1^i	54.94 (17)
O4^iii—Na1—Si1^i	72.12 (12)	O1—Si1—Na1^x	119.65 (19)
O3^v—Na1—Si1^i	86.90 (13)	O2—Si1—Na1^x	122.29 (19)
O1^i—Na1—Si2^iv	170.44 (15)	O3—Si1—Na1^x	46.84 (16)
O5^ii—Na1—Si2^iv	103.14 (17)	O4—Si1—Na1^x	59.48 (17)
O2—Na1—Si2^iv	105.90 (14)	Na1^i—Si1—Na1^x	88.28 (8)
O3^iii—Na1—Si2^iv	32.24 (10)	O1—Si1—Na1	79.39 (18)
O6^iv—Na1—Si2^iv	31.41 (11)	O2—Si1—Na1	40.38 (16)
O4^i—Na1—Si2^iv	110.34 (12)	O3—Si1—Na1	136.97 (18)
O4^iii—Na1—Si2^iv	87.22 (13)	O4—Si1—Na1	110.47 (18)
O3^v—Na1—Si2^iv	69.87 (11)	Na1^i—Si1—Na1	99.91 (10)
Si1^i—Na1—Si2^iv	142.91 (6)	Na1^x—Si1—Na1	159.68 (11)
O1^i—Na1—Ti1	123.14 (13)	O6—Si2—O5	115.8 (3)
O5^ii—Na1—Ti1	79.36 (11)	O6—Si2—O4	108.8 (2)
O2—Na1—Ti1	39.74 (10)	O5—Si2—O4	108.8 (2)
O3^iii—Na1—Ti1	97.14 (13)	O6—Si2—O3^vi	104.9 (2)
O6^iv—Na1—Ti1	37.37 (11)	O5—Si2—O3^vi	109.2 (3)
O4^i—Na1—Ti1	133.55 (16)	O4—Si2—O3^vi	109.1 (3)
O4^iii—Na1—Ti1	149.53 (17)	O6—Si2—Na1^xi	52.92 (15)
O3^v—Na1—Ti1	78.32 (11)	O5—Si2—Na1^xi	130.05 (18)
Si1^i—Na1—Ti1	138.29 (14)	O4—Si2—Na1^xi	121.0 (2)
Si2^iv—Na1—Ti1	66.19 (8)	O3^vi—Si2—Na1^xi	52.01 (17)
O1^i—Na1—Ti1^vi	38.12 (11)	O6—Si2—Na1^i	119.0 (2)
O5^ii—Na1—Ti1^vi	41.41 (11)	O5—Si2—Na1^i	124.76 (19)
O2—Na1—Ti1^vi	82.05 (10)	O4—Si2—Na1^i	46.75 (17)
O3^iii—Na1—Ti1^vi	136.17 (16)	O3^vi—Si2—Na1^i	62.36 (18)
O6^iv—Na1—Ti1^vi	124.84 (15)	Na1^xi—Si2—Na1^i	89.76 (8)
O4^i—Na1—Ti1^vi	99.30 (14)	O6—Si2—Na1^ii	77.13 (19)
O4^iii—Na1—Ti1^vi	79.31 (11)	O5—Si2—Na1^ii	40.14 (17)
O3^v—Na1—Ti1^vi	150.12 (17)	O4—Si2—Na1^ii	135.32 (19)
Si1^i—Na1—Ti1^vi	67.02 (8)	O3^vi—Si2—Na1^ii	111.85 (19)
Si2^iv—Na1—Ti1^vi	140.00 (14)	Na1^xi—Si2—Na1^ii	98.34 (10)
Ti1—Na1—Ti1^vi	111.14 (5)	Na1^i—Si2—Na1^ii	163.39 (10)
O6^iv—Ti1—O1^v	95.60 (11)	Si1—O1—Ti1^v	146.4 (2)
O6^iv—Ti1—O2	97.38 (17)	Si1—O1—Na1^i	96.04 (19)
O1^v—Ti1—O2	89.77 (17)	Ti1^v—O1—Na1^i	94.51 (18)
O6^iv—Ti1—O5^vii	169.39 (19)	Si1—O2—Ti1	123.1 (2)
O1^v—Ti1—O5^vii	88.82 (18)	Si1—O2—Ti1^viii	124.0 (2)
O2—Ti1—O5^vii	92.27 (16)	Ti1—O2—Ti1^viii	95.83 (18)
O6^iv—Ti1—O2^viii	92.80 (18)	Si1—O2—Na1	113.6 (2)
O1^v—Ti1—O2^viii	170.21 (19)	Ti1—O2—Na1	91.52 (18)
O2—Ti1—O2^viii	84.17 (18)	Ti1^viii—O2—Na1	102.55 (18)
O5^vii—Ti1—O2^viii	83.76 (10)	Si2^vii—O3—Si1	139.8 (3)
O6^iv—Ti1—O5^viii	89.74 (17)	Si2^vii—O3—Na1^x	95.8 (2)
O1^v—Ti1—O5^viii	94.01 (17)	Si1—O3—Na1^x	103.3 (2)
O2—Ti1—O5^viii	171.59 (11)	Si2^vii—O3—Na1^v	87.50 (18)
O5^vii—Ti1—O5^viii	80.31 (19)	Si1—O3—Na1^v	115.3 (2)
O2^viii—Ti1—O5^viii	91.04 (17)	Na1^x—O3—Na1^v	113.89 (19)
O6^iv—Ti1—Ti1^viii	96.83 (12)	Si2—O4—Si1	140.0 (3)
O1^v—Ti1—Ti1^viii	131.95 (15)	Si2—O4—Na1^i	104.3 (2)
O2—Ti1—Ti1^viii	42.65 (12)	Si1—O4—Na1^i	91.5 (2)
O5^vii—Ti1—Ti1^viii	87.27 (11)	Si2—O4—Na1^x	116.6 (2)
O2^viii—Ti1—Ti1^viii	41.52 (11)	Si1—O4—Na1^x	89.68 (18)
O5^viii—Ti1—Ti1^viii	132.18 (14)	Na1^i—O4—Na1^x	111.79 (19)
O6^iv—Ti1—Na1	49.62 (13)	Si2—O5—Ti1^vi	123.7 (3)
O1^v—Ti1—Na1	86.03 (12)	Si2—O5—Ti1^viii	120.3 (2)
O2—Ti1—Na1	48.74 (13)	Ti1^vi—O5—Ti1^viii	99.69 (19)
O5^vii—Ti1—Na1	140.60 (15)	Si2—O5—Na1^ii	114.2 (2)
O2^viii—Ti1—Na1	95.65 (12)	Ti1^vi—O5—Na1^ii	102.79 (19)
O5^viii—Ti1—Na1	138.99 (14)	Ti1^viii—O5—Na1^ii	89.97 (18)
Ti1^viii—Ti1—Na1	68.14 (6)	Si2—O6—Ti1^xi	149.0 (3)
O6^iv—Ti1—Na1^vii	82.89 (12)	Si2—O6—Na1^xi	95.7 (2)
O1^v—Ti1—Na1^vii	47.37 (13)	Ti1^xi—O6—Na1^xi	93.00 (18)
O2—Ti1—Na1^vii	136.59 (14)

Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+2, −y+1, −z+2; (iii) x, y+1, z; (iv) x−1, y+1, z; (v) −x+1, −y+1, −z+1; (vi) x+1, y, z; (vii) x−1, y, z; (viii) −x+1, −y+1, −z+2; (ix) −x, −y+1, −z+2; (x) x, y−1, z; (xi) x+1, y−1, z.

(140)

Crystal data

O6NaSi2Ti	Z = 2
Mr = 223.07	F(000) = 218
Triclinic, P1	Dx = 3.402 Mg m^−3
a = 5.2977 (16) Å	Mo Kα radiation, λ = 0.71073 Å
b = 6.527 (2) Å	Cell parameters from 1899 reflections
c = 6.604 (2) Å	θ = 2.1–32.3°
α = 84.65 (3)°	µ = 2.56 mm^−1
β = 77.71 (2)°	T = 140 K
γ = 77.75 (2)°	Prismatic, blue
V = 217.77 (11) Å^3	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	Rint = 0.032
rotation method scans	θmax = 24.7°, θmin = 4.0°
1278 measured reflections	h = −6→6
687 independent reflections	k = −7→7
587 reflections with I > 2σ(I)	l = −7→7

Refinement

Refinement on F^2	48 parameters
Least-squares matrix: full	8 restraints
R[F^2 > 2σ(F^2)] = 0.028	w = 1/[σ^2(Fo^2) + (0.0127P)^2 + 0.4499P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.055	(Δ/σ)max < 0.001
S = 1.16	Δρmax = 0.36 e Å^−3
687 reflections	Δρmin = −0.43 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na1	0.7583 (7)	0.8035 (5)	0.6994 (6)	0.0067 (4)
Ti1	0.2581 (3)	0.5978 (2)	0.9045 (2)	0.00095 (18)*
Si1	0.7421 (4)	0.3005 (3)	0.6144 (3)	0.0013 (4)*
Si2	1.2410 (3)	0.1225 (3)	0.7949 (3)	0.0006 (4)*
O1	0.8060 (8)	0.3939 (8)	0.3822 (8)	0.0029 (10)*
O2	0.6460 (8)	0.4641 (8)	0.8004 (8)	0.0021 (10)*
O3	0.5172 (8)	0.1549 (8)	0.6407 (8)	0.0021 (9)*
O4	1.0140 (8)	0.1393 (9)	0.6576 (9)	0.0032 (10)*
O5	1.1479 (8)	0.3052 (8)	0.9612 (8)	0.0030 (10)*
O6	1.3025 (8)	−0.1119 (8)	0.8927 (8)	0.0034 (10)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na1	0.0048 (7)	0.0022 (17)	0.0117 (19)	0.0019 (10)	−0.0014 (11)	0.0011 (6)

Geometric parameters (Å, º)

Na1—O1^i	2.370 (6)	Si1—O3	1.648 (5)
Na1—O5^ii	2.409 (6)	Si1—O4	1.655 (5)
Na1—O2	2.413 (5)	Si1—Na1^i	2.988 (5)
Na1—O3^iii	2.417 (6)	Si1—Na1^x	3.227 (3)
Na1—O4^i	2.443 (6)	Si2—O6	1.600 (5)
Na1—O6^iv	2.453 (6)	Si2—O5	1.624 (6)
Na1—O4^iii	2.776 (6)	Si2—O4	1.634 (5)
Na1—O3^v	2.891 (6)	Si2—O3^vi	1.637 (5)
Na1—Si1^i	2.988 (5)	Si2—Na1^xi	3.055 (5)
Na1—Si2^iv	3.055 (5)	Si2—Na1^i	3.254 (4)
Na1—Ti1	3.210 (3)	Si2—Na1^ii	3.420 (4)
Na1—Ti1^vi	3.214 (3)	O1—Ti1^v	1.988 (5)
Ti1—O6^iv	1.951 (5)	O1—Na1^i	2.370 (6)
Ti1—O1^v	1.988 (5)	O2—Ti1^viii	2.099 (5)
Ti1—O2	2.051 (5)	O3—Si2^vii	1.637 (5)
Ti1—O5^vii	2.091 (5)	O3—Na1^x	2.417 (6)
Ti1—O2^viii	2.099 (5)	O3—Na1^v	2.891 (6)
Ti1—O5^viii	2.128 (5)	O4—Na1^i	2.443 (6)
Ti1—Ti1^viii	3.078 (3)	O4—Na1^x	2.776 (6)
Ti1—Na1^vii	3.214 (3)	O5—Ti1^vi	2.091 (5)
Ti1—Ti1^ix	3.227 (3)	O5—Ti1^viii	2.128 (5)
Ti1—Na1^viii	3.526 (2)	O5—Na1^ii	2.409 (6)
Si1—O1	1.591 (5)	O6—Ti1^xi	1.951 (5)
Si1—O2	1.629 (6)	O6—Na1^xi	2.453 (6)
O1^i—Na1—O5^ii	78.07 (19)	O5^vii—Ti1—Na1^vii	93.18 (13)
O1^i—Na1—O2	83.71 (19)	O2^viii—Ti1—Na1^vii	139.19 (17)
O5^ii—Na1—O2	70.85 (9)	O5^viii—Ti1—Na1^vii	48.55 (15)
O1^i—Na1—O3^iii	139.16 (18)	Ti1^viii—Ti1—Na1^vii	179.22 (9)
O5^ii—Na1—O3^iii	119.2 (3)	Na1—Ti1—Na1^vii	111.13 (5)
O2—Na1—O3^iii	135.8 (2)	O6^iv—Ti1—Ti1^ix	129.26 (16)
O1^i—Na1—O4^i	65.56 (18)	O1^v—Ti1—Ti1^ix	92.01 (14)
O5^ii—Na1—O4^i	140.4 (2)	O2—Ti1—Ti1^ix	132.75 (15)
O2—Na1—O4^i	117.8 (3)	O5^vii—Ti1—Ti1^ix	40.54 (13)
O3^iii—Na1—O4^i	82.81 (9)	O2^viii—Ti1—Ti1^ix	86.59 (13)
O1^i—Na1—O6^iv	156.20 (10)	O5^viii—Ti1—Ti1^ix	39.70 (14)
O5^ii—Na1—O6^iv	83.15 (19)	Ti1^viii—Ti1—Ti1^ix	114.31 (4)
O2—Na1—O6^iv	76.36 (18)	Na1—Ti1—Ti1^ix	177.49 (6)
O3^iii—Na1—O6^iv	63.61 (18)	Na1^vii—Ti1—Ti1^ix	66.38 (6)
O4^i—Na1—O6^iv	135.90 (18)	O6^iv—Ti1—Na1^viii	133.56 (18)
O1^i—Na1—O4^iii	83.13 (18)	O1^v—Ti1—Na1^viii	130.55 (17)
O5^ii—Na1—O4^iii	93.3 (2)	O2—Ti1—Na1^viii	87.67 (15)
O2—Na1—O4^iii	161.18 (18)	O5^vii—Ti1—Na1^viii	41.75 (15)
O3^iii—Na1—O4^iii	60.59 (17)	O2^viii—Ti1—Na1^viii	41.90 (15)
O4^i—Na1—O4^iii	68.1 (2)	O5^viii—Ti1—Na1^viii	84.21 (15)
O6^iv—Na1—O4^iii	112.6 (2)	Ti1^viii—Ti1—Na1^viii	57.68 (6)
O1^i—Na1—O3^v	112.8 (2)	Na1—Ti1—Na1^viii	125.86 (5)
O5^ii—Na1—O3^v	157.44 (18)	Na1^vii—Ti1—Na1^viii	123.02 (5)
O2—Na1—O3^v	90.18 (19)	Ti1^ix—Ti1—Na1^viii	56.63 (6)
O3^iii—Na1—O3^v	66.2 (2)	O1—Si1—O2	118.1 (3)
O4^i—Na1—O3^v	59.30 (17)	O1—Si1—O3	110.6 (3)
O6^iv—Na1—O3^v	80.50 (18)	O2—Si1—O3	107.0 (3)
O4^iii—Na1—O3^v	107.32 (9)	O1—Si1—O4	106.8 (3)
O1^i—Na1—Si1^i	31.97 (13)	O2—Si1—O4	107.6 (3)
O5^ii—Na1—Si1^i	108.46 (16)	O3—Si1—O4	106.0 (3)
O2—Na1—Si1^i	102.7 (2)	O1—Si1—Na1^i	52.08 (18)
O3^iii—Na1—Si1^i	112.25 (14)	O2—Si1—Na1^i	132.9 (2)
O4^i—Na1—Si1^i	33.62 (12)	O3—Si1—Na1^i	119.6 (2)
O6^iv—Na1—Si1^i	167.5 (2)	O4—Si1—Na1^i	54.8 (2)
O4^iii—Na1—Si1^i	72.12 (14)	O1—Si1—Na1^x	119.4 (2)
O3^v—Na1—Si1^i	87.09 (16)	O2—Si1—Na1^x	122.2 (2)
O1^i—Na1—Si2^iv	170.29 (17)	O3—Si1—Na1^x	46.78 (19)
O5^ii—Na1—Si2^iv	102.9 (2)	O4—Si1—Na1^x	59.35 (19)
O2—Na1—Si2^iv	105.80 (16)	Na1^i—Si1—Na1^x	88.21 (9)
O3^iii—Na1—Si2^iv	32.22 (12)	O1—Si1—Na1	79.4 (2)
O4^i—Na1—Si2^iv	110.37 (13)	O2—Si1—Na1	40.63 (18)
O6^iv—Na1—Si2^iv	31.41 (12)	O3—Si1—Na1	137.1 (2)
O4^iii—Na1—Si2^iv	87.16 (15)	O4—Si1—Na1	110.5 (2)
O3^v—Na1—Si2^iv	69.86 (13)	Na1^i—Si1—Na1	99.76 (12)
Si1^i—Na1—Si2^iv	142.99 (6)	Na1^x—Si1—Na1	159.79 (13)
O1^i—Na1—Ti1	123.30 (16)	O6—Si2—O5	115.3 (3)
O5^ii—Na1—Ti1	79.28 (12)	O6—Si2—O4	108.7 (3)
O2—Na1—Ti1	39.70 (12)	O5—Si2—O4	109.0 (3)
O3^iii—Na1—Ti1	97.09 (15)	O6—Si2—O3^vi	105.0 (3)
O4^i—Na1—Ti1	133.78 (19)	O5—Si2—O3^vi	109.4 (3)
O6^iv—Na1—Ti1	37.37 (13)	O4—Si2—O3^vi	109.3 (3)
O4^iii—Na1—Ti1	149.4 (2)	O6—Si2—Na1^xi	53.07 (18)
O3^v—Na1—Ti1	78.29 (12)	O5—Si2—Na1^xi	130.1 (2)
Si1^i—Na1—Ti1	138.45 (17)	O4—Si2—Na1^xi	120.8 (2)
Si2^iv—Na1—Ti1	66.12 (9)	O3^vi—Si2—Na1^xi	51.93 (19)
O1^i—Na1—Ti1^vi	38.06 (13)	O6—Si2—Na1^i	119.3 (2)
O5^ii—Na1—Ti1^vi	41.47 (12)	O5—Si2—Na1^i	125.0 (2)
O2—Na1—Ti1^vi	82.08 (12)	O4—Si2—Na1^i	46.7 (2)
O3^iii—Na1—Ti1^vi	135.93 (19)	O3^vi—Si2—Na1^i	62.6 (2)
O4^i—Na1—Ti1^vi	99.33 (16)	Na1^xi—Si2—Na1^i	89.75 (8)
O6^iv—Na1—Ti1^vi	124.58 (17)	O6—Si2—Na1^ii	76.9 (2)
O4^iii—Na1—Ti1^vi	79.26 (13)	O5—Si2—Na1^ii	39.83 (19)
O3^v—Na1—Ti1^vi	150.3 (2)	O4—Si2—Na1^ii	135.2 (2)
Si1^i—Na1—Ti1^vi	67.03 (9)	O3^vi—Si2—Na1^ii	111.9 (2)
Si2^iv—Na1—Ti1^vi	139.80 (17)	Na1^xi—Si2—Na1^ii	98.54 (12)
Ti1—Na1—Ti1^vi	111.13 (5)	Na1^i—Si2—Na1^ii	163.38 (12)
O6^iv—Ti1—O1^v	95.73 (11)	Si1—O1—Ti1^v	146.6 (3)
O6^iv—Ti1—O2	97.44 (19)	Si1—O1—Na1^i	96.0 (2)
O1^v—Ti1—O2	89.8 (2)	Ti1^v—O1—Na1^i	94.6 (2)
O6^iv—Ti1—O5^vii	169.1 (2)	Si1—O2—Ti1	123.0 (2)
O1^v—Ti1—O5^vii	89.1 (2)	Si1—O2—Ti1^viii	124.4 (3)
O2—Ti1—O5^vii	92.32 (18)	Ti1—O2—Ti1^viii	95.7 (2)
O6^iv—Ti1—O2^viii	92.5 (2)	Si1—O2—Na1	113.3 (3)
O1^v—Ti1—O2^viii	170.4 (2)	Ti1—O2—Na1	91.6 (2)
O2—Ti1—O2^viii	84.3 (2)	Ti1^viii—O2—Na1	102.6 (2)
O5^vii—Ti1—O2^viii	83.66 (10)	Si2^vii—O3—Si1	139.9 (4)
O6^iv—Ti1—O5^viii	89.68 (19)	Si2^vii—O3—Na1^x	95.9 (2)
O1^v—Ti1—O5^viii	93.92 (19)	Si1—O3—Na1^x	103.4 (2)
O2—Ti1—O5^viii	171.62 (11)	Si2^vii—O3—Na1^v	87.3 (2)
O5^vii—Ti1—O5^viii	80.2 (2)	Si1—O3—Na1^v	115.3 (2)
O2^viii—Ti1—O5^viii	91.06 (19)	Na1^x—O3—Na1^v	113.8 (2)
O6^iv—Ti1—Ti1^viii	96.65 (14)	Si2—O4—Si1	139.7 (4)
O1^v—Ti1—Ti1^viii	132.05 (17)	Si2—O4—Na1^i	104.1 (2)
O2—Ti1—Ti1^viii	42.73 (14)	Si1—O4—Na1^i	91.6 (2)
O5^vii—Ti1—Ti1^viii	87.23 (12)	Si2—O4—Na1^x	116.8 (3)
O2^viii—Ti1—Ti1^viii	41.52 (13)	Si1—O4—Na1^x	89.8 (2)
O5^viii—Ti1—Ti1^viii	132.20 (16)	Na1^i—O4—Na1^x	111.9 (2)
O6^iv—Ti1—Na1	49.77 (16)	Si2—O5—Ti1^vi	123.1 (3)
O1^v—Ti1—Na1	85.89 (14)	Si2—O5—Ti1^viii	120.4 (2)
O2—Ti1—Na1	48.71 (15)	Ti1^vi—O5—Ti1^viii	99.8 (2)
O5^vii—Ti1—Na1	140.64 (17)	Si2—O5—Na1^ii	114.6 (3)
O2^viii—Ti1—Na1	95.71 (14)	Ti1^vi—O5—Na1^ii	102.9 (2)
O5^viii—Ti1—Na1	139.02 (16)	Ti1^viii—O5—Na1^ii	90.0 (2)
Ti1^viii—Ti1—Na1	68.18 (6)	Si2—O6—Ti1^xi	148.7 (3)
O6^iv—Ti1—Na1^vii	83.07 (14)	Si2—O6—Na1^xi	95.5 (2)
O1^v—Ti1—Na1^vii	47.31 (16)	Ti1^xi—O6—Na1^xi	92.9 (2)
O2—Ti1—Na1^vii	136.56 (16)

Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+2, −y+1, −z+2; (iii) x, y+1, z; (iv) x−1, y+1, z; (v) −x+1, −y+1, −z+1; (vi) x+1, y, z; (vii) x−1, y, z; (viii) −x+1, −y+1, −z+2; (ix) −x, −y+1, −z+2; (x) x, y−1, z; (xi) x+1, y−1, z.

(130)

Crystal data

O6NaSi2Ti	Z = 2
Mr = 223.07	F(000) = 218
Triclinic, P1	Dx = 3.402 Mg m^−3
a = 5.2976 (16) Å	Mo Kα radiation, λ = 0.71073 Å
b = 6.523 (2) Å	Cell parameters from 2033 reflections
c = 6.607 (2) Å	θ = 2.1–32.3°
α = 84.63 (3)°	µ = 2.56 mm^−1
β = 77.72 (2)°	T = 130 K
γ = 77.75 (2)°	Prismatic, blue
V = 217.74 (11) Å^3	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	Rint = 0.032
rotation method scans	θmax = 24.7°, θmin = 4.0°
1278 measured reflections	h = −6→6
687 independent reflections	k = −7→7
588 reflections with I > 2σ(I)	l = −7→7

Refinement

Refinement on F^2	48 parameters
Least-squares matrix: full	8 restraints
R[F^2 > 2σ(F^2)] = 0.026	w = 1/[σ^2(Fo^2) + (0.0153P)^2 + 0.3749P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.053	(Δ/σ)max < 0.001
S = 1.12	Δρmax = 0.33 e Å^−3
687 reflections	Δρmin = −0.47 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na1	0.7583 (7)	0.8037 (5)	0.6996 (5)	0.0063 (4)
Ti1	0.2578 (3)	0.5976 (2)	0.9047 (2)	0.00089 (17)*
Si1	0.7419 (3)	0.3008 (3)	0.6144 (3)	0.0010 (4)*
Si2	1.2410 (3)	0.1223 (3)	0.7949 (3)	0.0011 (4)*
O1	0.8057 (8)	0.3937 (8)	0.3817 (8)	0.0035 (10)*
O2	0.6458 (8)	0.4654 (7)	0.7987 (7)	0.0023 (9)*
O3	0.5175 (8)	0.1550 (8)	0.6402 (8)	0.0025 (9)*
O4	1.0133 (8)	0.1400 (8)	0.6576 (8)	0.0021 (9)*
O5	1.1478 (8)	0.3062 (7)	0.9597 (8)	0.0027 (9)*
O6	1.3029 (8)	−0.1120 (7)	0.8928 (8)	0.0023 (10)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na1	0.0043 (7)	0.0028 (16)	0.0101 (18)	0.0020 (9)	−0.0007 (10)	0.0004 (6)

Geometric parameters (Å, º)

Na1—O1^i	2.371 (6)	Si1—O3	1.646 (4)
Na1—O2	2.404 (5)	Si1—O4	1.652 (4)
Na1—O3^ii	2.416 (6)	Si1—Na1^i	2.991 (5)
Na1—O5^iii	2.419 (5)	Si1—Na1^x	3.224 (3)
Na1—O4^i	2.445 (6)	Si2—O6	1.598 (5)
Na1—O6^iv	2.452 (6)	Si2—O5	1.623 (5)
Na1—O4^ii	2.774 (6)	Si2—O4	1.636 (4)
Na1—O3^v	2.892 (6)	Si2—O3^vi	1.640 (4)
Na1—Si1^i	2.991 (5)	Si2—Na1^xi	3.053 (4)
Na1—Si2^iv	3.053 (4)	Si2—Na1^i	3.257 (4)
Na1—Ti1	3.212 (3)	Si2—Na1^iii	3.420 (4)
Na1—Ti1^vi	3.212 (3)	O1—Ti1^v	1.985 (5)
Ti1—O6^iv	1.951 (5)	O1—Na1^i	2.371 (6)
Ti1—O1^v	1.985 (5)	O2—Ti1^viii	2.111 (5)
Ti1—O2	2.051 (5)	O3—Si2^vii	1.640 (4)
Ti1—O5^vii	2.082 (5)	O3—Na1^x	2.416 (6)
Ti1—O2^viii	2.111 (5)	O3—Na1^v	2.892 (6)
Ti1—O5^viii	2.128 (5)	O4—Na1^i	2.445 (6)
Ti1—Ti1^viii	3.079 (3)	O4—Na1^x	2.774 (6)
Ti1—Na1^vii	3.212 (3)	O5—Ti1^vi	2.082 (5)
Ti1—Ti1^ix	3.222 (3)	O5—Ti1^viii	2.128 (5)
Ti1—Na1^viii	3.5235 (19)	O5—Na1^iii	2.419 (5)
Si1—O1	1.593 (5)	O6—Ti1^xi	1.951 (5)
Si1—O2	1.626 (5)	O6—Na1^xi	2.452 (6)
O1^i—Na1—O2	83.78 (18)	O5^vii—Ti1—Na1^vii	93.05 (13)
O1^i—Na1—O3^ii	139.12 (17)	O2^viii—Ti1—Na1^vii	139.20 (15)
O2—Na1—O3^ii	135.66 (19)	O5^viii—Ti1—Na1^vii	48.84 (14)
O1^i—Na1—O5^iii	78.03 (17)	Ti1^viii—Ti1—Na1^vii	179.13 (8)
O2—Na1—O5^iii	71.01 (9)	Na1—Ti1—Na1^vii	111.10 (5)
O3^ii—Na1—O5^iii	119.4 (2)	O6^iv—Ti1—Ti1^ix	129.31 (16)
O1^i—Na1—O4^i	65.48 (17)	O1^v—Ti1—Ti1^ix	92.12 (14)
O2—Na1—O4^i	117.5 (2)	O2—Ti1—Ti1^ix	133.08 (15)
O3^ii—Na1—O4^i	82.87 (9)	O5^vii—Ti1—Ti1^ix	40.59 (12)
O5^iii—Na1—O4^i	140.34 (19)	O2^viii—Ti1—Ti1^ix	86.52 (12)
O1^i—Na1—O6^iv	156.14 (10)	O5^viii—Ti1—Ti1^ix	39.55 (13)
O2—Na1—O6^iv	76.32 (17)	Ti1^viii—Ti1—Ti1^ix	114.41 (4)
O3^ii—Na1—O6^iv	63.71 (17)	Na1—Ti1—Ti1^ix	177.48 (6)
O5^iii—Na1—O6^iv	83.09 (18)	Na1^vii—Ti1—Ti1^ix	66.40 (6)
O4^i—Na1—O6^iv	136.02 (17)	O6^iv—Ti1—Na1^viii	133.52 (17)
O1^i—Na1—O4^ii	83.16 (17)	O1^v—Ti1—Na1^viii	130.65 (16)
O2—Na1—O4^ii	161.49 (17)	O2—Ti1—Na1^viii	88.08 (15)
O3^ii—Na1—O4^ii	60.53 (16)	O5^vii—Ti1—Na1^viii	42.02 (14)
O5^iii—Na1—O4^ii	93.4 (2)	O2^viii—Ti1—Na1^viii	41.78 (14)
O4^i—Na1—O4^ii	68.2 (2)	O5^viii—Ti1—Na1^viii	83.96 (14)
O6^iv—Na1—O4^ii	112.6 (2)	Ti1^viii—Ti1—Na1^viii	57.75 (6)
O1^i—Na1—O3^v	112.8 (2)	Na1—Ti1—Na1^viii	125.83 (5)
O2—Na1—O3^v	89.84 (18)	Na1^vii—Ti1—Na1^viii	123.07 (5)
O3^ii—Na1—O3^v	66.2 (2)	Ti1^ix—Ti1—Na1^viii	56.67 (6)
O5^iii—Na1—O3^v	157.28 (17)	O1—Si1—O2	117.9 (3)
O4^i—Na1—O3^v	59.36 (16)	O1—Si1—O3	110.4 (3)
O6^iv—Na1—O3^v	80.49 (17)	O2—Si1—O3	107.2 (3)
O4^ii—Na1—O3^v	107.32 (8)	O1—Si1—O4	106.8 (2)
O1^i—Na1—Si1^i	32.00 (12)	O2—Si1—O4	107.8 (3)
O2—Na1—Si1^i	102.59 (18)	O3—Si1—O4	106.0 (3)
O3^ii—Na1—Si1^i	112.22 (13)	O1—Si1—Na1^i	52.05 (17)
O5^iii—Na1—Si1^i	108.50 (15)	O2—Si1—Na1^i	132.83 (19)
O4^i—Na1—Si1^i	33.51 (11)	O3—Si1—Na1^i	119.5 (2)
O6^iv—Na1—Si1^i	167.51 (19)	O4—Si1—Na1^i	54.82 (19)
O4^ii—Na1—Si1^i	72.21 (14)	O1—Si1—Na1^x	119.3 (2)
O3^v—Na1—Si1^i	87.08 (15)	O2—Si1—Na1^x	122.5 (2)
O1^i—Na1—Si2^iv	170.33 (17)	O3—Si1—Na1^x	46.78 (18)
O2—Na1—Si2^iv	105.69 (15)	O4—Si1—Na1^x	59.36 (18)
O3^ii—Na1—Si2^iv	32.32 (11)	Na1^i—Si1—Na1^x	88.15 (8)
O5^iii—Na1—Si2^iv	102.91 (18)	O1—Si1—Na1	79.7 (2)
O4^i—Na1—Si2^iv	110.53 (13)	O2—Si1—Na1	40.27 (18)
O6^iv—Na1—Si2^iv	31.41 (11)	O3—Si1—Na1	137.2 (2)
O4^ii—Na1—Si2^iv	87.17 (14)	O4—Si1—Na1	110.5 (2)
O3^v—Na1—Si2^iv	69.85 (13)	Na1^i—Si1—Na1	99.84 (12)
Si1^i—Na1—Si2^iv	143.05 (6)	Na1^x—Si1—Na1	159.70 (12)
O1^i—Na1—Ti1	123.30 (15)	O6—Si2—O5	115.6 (3)
O2—Na1—Ti1	39.66 (12)	O6—Si2—O4	109.0 (3)
O3^ii—Na1—Ti1	97.12 (14)	O5—Si2—O4	108.6 (3)
O5^iii—Na1—Ti1	79.20 (11)	O6—Si2—O3^vi	105.0 (2)
O4^i—Na1—Ti1	133.71 (18)	O5—Si2—O3^vi	109.2 (3)
O6^iv—Na1—Ti1	37.34 (12)	O4—Si2—O3^vi	109.2 (3)
O4^ii—Na1—Ti1	149.4 (2)	O6—Si2—Na1^xi	53.07 (17)
O3^v—Na1—Ti1	78.22 (12)	O5—Si2—Na1^xi	130.19 (19)
Si1^i—Na1—Ti1	138.36 (16)	O4—Si2—Na1^xi	121.0 (2)
Si2^iv—Na1—Ti1	66.07 (8)	O3^vi—Si2—Na1^xi	51.94 (18)
O1^i—Na1—Ti1^vi	38.00 (13)	O6—Si2—Na1^i	119.3 (2)
O2—Na1—Ti1^vi	82.24 (11)	O5—Si2—Na1^i	124.6 (2)
O3^ii—Na1—Ti1^vi	136.04 (18)	O4—Si2—Na1^i	46.73 (19)
O5^iii—Na1—Ti1^vi	41.48 (11)	O3^vi—Si2—Na1^i	62.50 (19)
O4^i—Na1—Ti1^vi	99.26 (15)	Na1^xi—Si2—Na1^i	89.74 (8)
O6^iv—Na1—Ti1^vi	124.54 (16)	O6—Si2—Na1^iii	76.9 (2)
O4^ii—Na1—Ti1^vi	79.38 (12)	O5—Si2—Na1^iii	40.19 (18)
O3^v—Na1—Ti1^vi	150.3 (2)	O4—Si2—Na1^iii	135.1 (2)
Si1^i—Na1—Ti1^vi	67.06 (9)	O3^vi—Si2—Na1^iii	111.9 (2)
Si2^iv—Na1—Ti1^vi	139.85 (16)	Na1^xi—Si2—Na1^iii	98.52 (12)
Ti1—Na1—Ti1^vi	111.10 (5)	Na1^i—Si2—Na1^iii	163.41 (11)
O6^iv—Ti1—O1^v	95.68 (10)	Si1—O1—Ti1^v	146.9 (3)
O6^iv—Ti1—O2	97.08 (19)	Si1—O1—Na1^i	96.0 (2)
O1^v—Ti1—O2	89.41 (19)	Ti1^v—O1—Na1^i	94.6 (2)
O6^iv—Ti1—O5^vii	169.3 (2)	Si1—O2—Ti1	123.2 (2)
O1^v—Ti1—O5^vii	88.9 (2)	Si1—O2—Ti1^viii	123.9 (3)
O2—Ti1—O5^vii	92.61 (17)	Ti1—O2—Ti1^viii	95.4 (2)
O6^iv—Ti1—O2^viii	92.6 (2)	Si1—O2—Na1	113.8 (3)
O1^v—Ti1—O2^viii	170.3 (2)	Ti1—O2—Na1	91.93 (19)
O2—Ti1—O2^viii	84.6 (2)	Ti1^viii—O2—Na1	102.41 (19)
O5^vii—Ti1—O2^viii	83.80 (10)	Si2^vii—O3—Si1	139.8 (4)
O6^iv—Ti1—O5^viii	89.87 (19)	Si2^vii—O3—Na1^x	95.7 (2)
O1^v—Ti1—O5^viii	94.25 (19)	Si1—O3—Na1^x	103.5 (2)
O2—Ti1—O5^viii	171.80 (11)	Si2^vii—O3—Na1^v	87.30 (19)
O5^vii—Ti1—O5^viii	80.1 (2)	Si1—O3—Na1^v	115.4 (2)
O2^viii—Ti1—O5^viii	90.78 (18)	Na1^x—O3—Na1^v	113.8 (2)
O6^iv—Ti1—Ti1^viii	96.48 (14)	Si2—O4—Si1	139.9 (4)
O1^v—Ti1—Ti1^viii	131.99 (17)	Si2—O4—Na1^i	104.1 (2)
O2—Ti1—Ti1^viii	43.05 (14)	Si1—O4—Na1^i	91.7 (2)
O5^vii—Ti1—Ti1^viii	87.49 (12)	Si2—O4—Na1^x	116.6 (2)
O2^viii—Ti1—Ti1^viii	41.54 (12)	Si1—O4—Na1^x	89.83 (19)
O5^viii—Ti1—Ti1^viii	131.96 (15)	Na1^i—O4—Na1^x	111.8 (2)
O6^iv—Ti1—Na1	49.66 (15)	Si2—O5—Ti1^vi	123.6 (3)
O1^v—Ti1—Na1	85.80 (14)	Si2—O5—Ti1^viii	120.4 (2)
O2—Ti1—Na1	48.41 (14)	Ti1^vi—O5—Ti1^viii	99.9 (2)
O5^vii—Ti1—Na1	140.62 (15)	Si2—O5—Na1^iii	114.2 (3)
O2^viii—Ti1—Na1	95.77 (13)	Ti1^vi—O5—Na1^iii	102.8 (2)
O5^viii—Ti1—Na1	139.14 (15)	Ti1^viii—O5—Na1^iii	89.67 (19)
Ti1^viii—Ti1—Na1	68.08 (6)	Si2—O6—Ti1^xi	148.5 (3)
O6^iv—Ti1—Na1^vii	83.11 (13)	Si2—O6—Na1^xi	95.5 (2)
O1^v—Ti1—Na1^vii	47.36 (15)	Ti1^xi—O6—Na1^xi	93.0 (2)
O2—Ti1—Na1^vii	136.21 (15)

Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) x, y+1, z; (iii) −x+2, −y+1, −z+2; (iv) x−1, y+1, z; (v) −x+1, −y+1, −z+1; (vi) x+1, y, z; (vii) x−1, y, z; (viii) −x+1, −y+1, −z+2; (ix) −x, −y+1, −z+2; (x) x, y−1, z; (xi) x+1, y−1, z.

(110)

Crystal data

O6NaSi2Ti	Z = 2
Mr = 223.07	F(000) = 218
Triclinic, P1	Dx = 3.404 Mg m^−3
a = 5.2976 (19) Å	Mo Kα radiation, λ = 0.71073 Å
b = 6.516 (2) Å	Cell parameters from 1911 reflections
c = 6.612 (2) Å	θ = 2.1–32.3°
α = 84.60 (3)°	µ = 2.56 mm^−1
β = 77.73 (3)°	T = 110 K
γ = 77.75 (3)°	Prismatic, blue
V = 217.67 (14) Å^3	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	Rint = 0.032
rotation method scans	θmax = 24.7°, θmin = 4.0°
1269 measured reflections	h = −6→6
682 independent reflections	k = −7→7
591 reflections with I > 2σ(I)	l = −7→7

Refinement

Refinement on F^2	48 parameters
Least-squares matrix: full	8 restraints
R[F^2 > 2σ(F^2)] = 0.026	w = 1/[σ^2(Fo^2) + (0.0171P)^2 + 0.3932P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.054	(Δ/σ)max < 0.001
S = 1.09	Δρmax = 0.38 e Å^−3
682 reflections	Δρmin = −0.37 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na1	0.7578 (6)	0.8046 (4)	0.7005 (5)	0.0060 (4)
Ti1	0.2584 (3)	0.59776 (19)	0.9050 (2)	0.00083 (17)*
Si1	0.7421 (3)	0.3008 (3)	0.6145 (3)	0.0008 (3)*
Si2	1.2411 (3)	0.1223 (3)	0.7948 (3)	0.0009 (3)*
O1	0.8059 (7)	0.3939 (7)	0.3832 (7)	0.0030 (9)*
O2	0.6456 (7)	0.4653 (7)	0.7998 (7)	0.0025 (8)*
O3	0.5180 (7)	0.1552 (7)	0.6404 (7)	0.0013 (8)*
O4	1.0133 (7)	0.1397 (8)	0.6573 (8)	0.0039 (9)*
O5	1.1485 (7)	0.3055 (7)	0.9604 (7)	0.0026 (8)*
O6	1.3025 (7)	−0.1130 (7)	0.8929 (8)	0.0033 (9)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na1	0.0041 (6)	0.0029 (15)	0.0098 (16)	0.0025 (9)	−0.0018 (10)	−0.0003 (6)

Geometric parameters (Å, º)

Na1—O1^i	2.375 (5)	Si1—O3	1.643 (4)
Na1—O2	2.406 (5)	Si1—O4	1.651 (4)
Na1—O3^ii	2.409 (5)	Si1—Na1^i	2.997 (4)
Na1—O5^iii	2.410 (5)	Si1—Na1^x	3.217 (3)
Na1—O6^iv	2.449 (5)	Si2—O6	1.602 (5)
Na1—O4^i	2.451 (6)	Si2—O5	1.623 (5)
Na1—O4^ii	2.766 (5)	Si2—O4	1.639 (4)
Na1—O3^v	2.900 (6)	Si2—O3^vi	1.642 (4)
Na1—Si1^i	2.997 (4)	Si2—Na1^xi	3.046 (4)
Na1—Si2^iv	3.046 (4)	Si2—Na1^i	3.264 (3)
Na1—Ti1	3.208 (3)	Si2—Na1^iii	3.416 (4)
Na1—Ti1^vi	3.216 (3)	O1—Ti1^v	2.000 (5)
Ti1—O6^iv	1.940 (5)	O1—Na1^i	2.375 (5)
Ti1—O1^v	2.000 (5)	O2—Ti1^viii	2.102 (5)
Ti1—O2	2.047 (4)	O3—Si2^vii	1.642 (4)
Ti1—O5^vii	2.085 (5)	O3—Na1^x	2.409 (5)
Ti1—O2^viii	2.102 (5)	O3—Na1^v	2.900 (6)
Ti1—O5^viii	2.133 (4)	O4—Na1^i	2.451 (6)
Ti1—Ti1^viii	3.072 (2)	O4—Na1^x	2.766 (5)
Ti1—Na1^vii	3.216 (3)	O5—Ti1^vi	2.085 (5)
Ti1—Ti1^ix	3.227 (2)	O5—Ti1^viii	2.133 (4)
Ti1—Na1^viii	3.521 (2)	O5—Na1^iii	2.410 (5)
Si1—O1	1.585 (5)	O6—Ti1^xi	1.940 (5)
Si1—O2	1.631 (5)	O6—Na1^xi	2.449 (5)
O1^i—Na1—O2	83.69 (17)	O5^vii—Ti1—Na1^vii	93.10 (12)
O1^i—Na1—O3^ii	138.99 (16)	O2^viii—Ti1—Na1^vii	139.12 (15)
O2—Na1—O3^ii	135.74 (18)	O5^viii—Ti1—Na1^vii	48.53 (14)
O1^i—Na1—O5^iii	78.38 (17)	Ti1^viii—Ti1—Na1^vii	179.21 (7)
O2—Na1—O5^iii	70.92 (9)	Na1—Ti1—Na1^vii	111.10 (5)
O3^ii—Na1—O5^iii	119.6 (2)	O6^iv—Ti1—Ti1^ix	129.22 (15)
O1^i—Na1—O6^iv	156.18 (10)	O1^v—Ti1—Ti1^ix	91.93 (13)
O2—Na1—O6^iv	76.10 (17)	O2—Ti1—Ti1^ix	133.04 (14)
O3^ii—Na1—O6^iv	64.00 (16)	O5^vii—Ti1—Ti1^ix	40.64 (11)
O5^iii—Na1—O6^iv	83.14 (17)	O2^viii—Ti1—Ti1^ix	86.61 (12)
O1^i—Na1—O4^i	65.09 (16)	O5^viii—Ti1—Ti1^ix	39.55 (12)
O2—Na1—O4^i	117.4 (2)	Ti1^viii—Ti1—Ti1^ix	114.48 (5)
O3^ii—Na1—O4^i	82.86 (9)	Na1—Ti1—Ti1^ix	177.34 (5)
O5^iii—Na1—O4^i	140.32 (18)	Na1^vii—Ti1—Ti1^ix	66.25 (6)
O6^iv—Na1—O4^i	136.06 (17)	O6^iv—Ti1—Na1^viii	133.73 (16)
O1^i—Na1—O4^ii	83.15 (16)	O1^v—Ti1—Na1^viii	130.43 (15)
O2—Na1—O4^ii	161.43 (16)	O2—Ti1—Na1^viii	87.96 (14)
O3^ii—Na1—O4^ii	60.62 (15)	O5^vii—Ti1—Na1^viii	41.85 (14)
O5^iii—Na1—O4^ii	93.58 (19)	O2^viii—Ti1—Na1^viii	41.86 (13)
O6^iv—Na1—O4^ii	113.1 (2)	O5^viii—Ti1—Na1^viii	84.16 (14)
O4^i—Na1—O4^ii	68.1 (2)	Ti1^viii—Ti1—Na1^viii	57.76 (6)
O1^i—Na1—O3^v	112.3 (2)	Na1—Ti1—Na1^viii	125.92 (5)
O2—Na1—O3^v	89.78 (17)	Na1^vii—Ti1—Na1^viii	122.97 (5)
O3^ii—Na1—O3^v	66.28 (19)	Ti1^ix—Ti1—Na1^viii	56.72 (5)
O5^iii—Na1—O3^v	157.23 (16)	O1—Si1—O2	118.1 (3)
O6^iv—Na1—O3^v	80.48 (15)	O1—Si1—O3	110.6 (3)
O4^i—Na1—O3^v	59.29 (15)	O2—Si1—O3	107.1 (2)
O4^ii—Na1—O3^v	107.34 (8)	O1—Si1—O4	106.7 (2)
O1^i—Na1—Si1^i	31.72 (12)	O2—Si1—O4	107.8 (3)
O2—Na1—Si1^i	102.47 (17)	O3—Si1—O4	106.0 (3)
O3^ii—Na1—Si1^i	112.15 (12)	O1—Si1—Na1^i	51.99 (16)
O5^iii—Na1—Si1^i	108.56 (15)	O2—Si1—Na1^i	133.08 (18)
O6^iv—Na1—Si1^i	167.24 (17)	O3—Si1—Na1^i	119.4 (2)
O4^i—Na1—Si1^i	33.40 (11)	O4—Si1—Na1^i	54.82 (18)
O4^ii—Na1—Si1^i	72.14 (13)	O1—Si1—Na1^x	119.5 (2)
O3^v—Na1—Si1^i	86.86 (14)	O2—Si1—Na1^x	122.21 (19)
O1^i—Na1—Si2^iv	170.52 (15)	O3—Si1—Na1^x	46.75 (16)
O2—Na1—Si2^iv	105.67 (14)	O4—Si1—Na1^x	59.32 (17)
O3^ii—Na1—Si2^iv	32.43 (11)	Na1^i—Si1—Na1^x	88.17 (8)
O5^iii—Na1—Si2^iv	103.02 (17)	O1—Si1—Na1	79.7 (2)
O6^iv—Na1—Si2^iv	31.58 (11)	O2—Si1—Na1	40.37 (17)
O4^i—Na1—Si2^iv	110.57 (12)	O3—Si1—Na1	137.10 (19)
O4^ii—Na1—Si2^iv	87.40 (14)	O4—Si1—Na1	110.57 (19)
O3^v—Na1—Si2^iv	69.90 (12)	Na1^i—Si1—Na1	100.06 (11)
Si1^i—Na1—Si2^iv	143.03 (6)	Na1^x—Si1—Na1	159.52 (11)
O1^i—Na1—Ti1	123.22 (14)	O6—Si2—O5	115.4 (3)
O2—Na1—Ti1	39.63 (11)	O6—Si2—O4	108.8 (2)
O3^ii—Na1—Ti1	97.24 (13)	O5—Si2—O4	108.9 (2)
O5^iii—Na1—Ti1	79.17 (11)	O6—Si2—O3^vi	105.1 (2)
O6^iv—Na1—Ti1	37.14 (12)	O5—Si2—O3^vi	109.2 (3)
O4^i—Na1—Ti1	133.61 (17)	O4—Si2—O3^vi	109.3 (3)
O4^ii—Na1—Ti1	149.64 (19)	O6—Si2—Na1^xi	53.20 (16)
O3^v—Na1—Ti1	78.21 (11)	O5—Si2—Na1^xi	129.89 (18)
Si1^i—Na1—Ti1	138.17 (14)	O4—Si2—Na1^xi	121.0 (2)
Si2^iv—Na1—Ti1	66.08 (8)	O3^vi—Si2—Na1^xi	51.90 (17)
O1^i—Na1—Ti1^vi	38.33 (12)	O6—Si2—Na1^i	119.1 (2)
O2—Na1—Ti1^vi	82.20 (11)	O5—Si2—Na1^i	125.08 (19)
O3^ii—Na1—Ti1^vi	136.12 (16)	O4—Si2—Na1^i	46.71 (18)
O5^iii—Na1—Ti1^vi	41.55 (11)	O3^vi—Si2—Na1^i	62.56 (18)
O6^iv—Na1—Ti1^vi	124.65 (15)	Na1^xi—Si2—Na1^i	89.71 (8)
O4^i—Na1—Ti1^vi	99.15 (14)	O6—Si2—Na1^iii	76.9 (2)
O4^ii—Na1—Ti1^vi	79.35 (11)	O5—Si2—Na1^iii	39.97 (17)
O3^v—Na1—Ti1^vi	150.06 (18)	O4—Si2—Na1^iii	135.2 (2)
Si1^i—Na1—Ti1^vi	67.06 (8)	O3^vi—Si2—Na1^iii	111.86 (19)
Si2^iv—Na1—Ti1^vi	140.03 (15)	Na1^xi—Si2—Na1^iii	98.38 (11)
Ti1—Na1—Ti1^vi	111.10 (5)	Na1^i—Si2—Na1^iii	163.62 (10)
O6^iv—Ti1—O1^v	95.69 (10)	Si1—O1—Ti1^v	146.7 (3)
O6^iv—Ti1—O2	97.24 (18)	Si1—O1—Na1^i	96.3 (2)
O1^v—Ti1—O2	89.48 (18)	Ti1^v—O1—Na1^i	94.2 (2)
O6^iv—Ti1—O5^vii	169.2 (2)	Si1—O2—Ti1	123.1 (2)
O1^v—Ti1—O5^vii	88.90 (19)	Si1—O2—Ti1^viii	124.1 (3)
O2—Ti1—O5^vii	92.51 (16)	Ti1—O2—Ti1^viii	95.49 (19)
O6^iv—Ti1—O2^viii	92.70 (19)	Si1—O2—Na1	113.6 (3)
O1^v—Ti1—O2^viii	170.2 (2)	Ti1—O2—Na1	91.81 (19)
O2—Ti1—O2^viii	84.51 (19)	Ti1^viii—O2—Na1	102.48 (19)
O5^vii—Ti1—O2^viii	83.70 (10)	Si2^vii—O3—Si1	139.9 (3)
O6^iv—Ti1—O5^viii	89.78 (18)	Si2^vii—O3—Na1^x	95.7 (2)
O1^v—Ti1—O5^viii	93.99 (17)	Si1—O3—Na1^x	103.5 (2)
O2—Ti1—O5^viii	171.83 (11)	Si2^vii—O3—Na1^v	87.29 (17)
O5^vii—Ti1—O5^viii	80.19 (19)	Si1—O3—Na1^v	115.4 (2)
O2^viii—Ti1—O5^viii	91.02 (17)	Na1^x—O3—Na1^v	113.72 (19)
O6^iv—Ti1—Ti1^viii	96.68 (13)	Si2—O4—Si1	139.7 (4)
O1^v—Ti1—Ti1^viii	131.95 (15)	Si2—O4—Na1^i	104.1 (2)
O2—Ti1—Ti1^viii	42.94 (13)	Si1—O4—Na1^i	91.8 (2)
O5^vii—Ti1—Ti1^viii	87.37 (11)	Si2—O4—Na1^x	116.6 (2)
O2^viii—Ti1—Ti1^viii	41.56 (12)	Si1—O4—Na1^x	89.81 (18)
O5^viii—Ti1—Ti1^viii	132.22 (14)	Na1^i—O4—Na1^x	111.9 (2)
O6^iv—Ti1—Na1	49.66 (14)	Si2—O5—Ti1^vi	123.4 (3)
O1^v—Ti1—Na1	85.89 (13)	Si2—O5—Ti1^viii	120.2 (2)
O2—Ti1—Na1	48.56 (13)	Ti1^vi—O5—Ti1^viii	99.81 (19)
O5^vii—Ti1—Na1	140.67 (15)	Si2—O5—Na1^iii	114.4 (2)
O2^viii—Ti1—Na1	95.80 (13)	Ti1^vi—O5—Na1^iii	102.89 (19)
O5^viii—Ti1—Na1	139.03 (14)	Ti1^viii—O5—Na1^iii	89.92 (19)
Ti1^viii—Ti1—Na1	68.16 (6)	Si2—O6—Ti1^xi	148.8 (3)
O6^iv—Ti1—Na1^vii	82.97 (13)	Si2—O6—Na1^xi	95.2 (2)
O1^v—Ti1—Na1^vii	47.45 (14)	Ti1^xi—O6—Na1^xi	93.19 (19)
O2—Ti1—Na1^vii	136.37 (15)

Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) x, y+1, z; (iii) −x+2, −y+1, −z+2; (iv) x−1, y+1, z; (v) −x+1, −y+1, −z+1; (vi) x+1, y, z; (vii) x−1, y, z; (viii) −x+1, −y+1, −z+2; (ix) −x, −y+1, −z+2; (x) x, y−1, z; (xi) x+1, y−1, z.

(100)

Crystal data

O6NaSi2Ti	Z = 2
Mr = 223.07	F(000) = 218
Triclinic, P1	Dx = 3.406 Mg m^−3
a = 5.2967 (19) Å	Mo Kα radiation, λ = 0.71073 Å
b = 6.510 (2) Å	Cell parameters from 1586 reflections
c = 6.615 (2) Å	θ = 2.1–32.3°
α = 84.59 (3)°	µ = 2.57 mm^−1
β = 77.73 (3)°	T = 100 K
γ = 77.76 (3)°	Prismatic, blue
V = 217.54 (13) Å^3	0.17 × 0.10 × 0.08 mm

Data collection

STOE IPDS 2 diffractometer	Rint = 0.022
rotation method scans	θmax = 24.7°, θmin = 3.2°
1030 measured reflections	h = −6→6
663 independent reflections	k = −7→7
564 reflections with I > 2σ(I)	l = −7→6

Refinement

Refinement on F^2	48 parameters
Least-squares matrix: full	8 restraints
R[F^2 > 2σ(F^2)] = 0.029	w = 1/[σ^2(Fo^2) + (0.0396P)^2 + 0.2805P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.073	(Δ/σ)max < 0.001
S = 1.09	Δρmax = 0.42 e Å^−3
663 reflections	Δρmin = −0.62 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Na1	0.7590 (6)	0.8036 (4)	0.7001 (5)	0.0072 (4)
Ti1	0.2583 (2)	0.59785 (19)	0.90522 (19)	0.0019 (2)*
Si1	0.7424 (3)	0.3001 (3)	0.6150 (3)	0.0017 (4)*
Si2	1.2409 (3)	0.1212 (3)	0.7959 (3)	0.0022 (4)*
O1	0.8069 (7)	0.3928 (7)	0.3819 (7)	0.0036 (9)*
O2	0.6463 (7)	0.4657 (7)	0.7980 (7)	0.0043 (9)*
O3	0.5163 (7)	0.1549 (7)	0.6403 (7)	0.0031 (8)*
O4	1.0148 (7)	0.1393 (8)	0.6572 (8)	0.0040 (9)*
O5	1.1472 (7)	0.3076 (7)	0.9595 (7)	0.0034 (9)*
O6	1.3022 (7)	−0.1120 (7)	0.8927 (7)	0.0041 (9)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na1	0.0044 (7)	0.0036 (14)	0.0129 (16)	0.0016 (9)	−0.0019 (9)	−0.0014 (7)

Geometric parameters (Å, º)

Na1—O1^i	2.360 (5)	Si1—O3	1.649 (4)
Na1—O2	2.396 (5)	Si1—O4	1.653 (4)
Na1—O3^ii	2.416 (5)	Si1—Na1^i	2.991 (4)
Na1—O5^iii	2.420 (5)	Si1—Na1^x	3.214 (3)
Na1—O4^i	2.445 (6)	Si2—O6	1.587 (5)
Na1—O6^iv	2.457 (5)	Si2—O5	1.629 (5)
Na1—O4^ii	2.769 (5)	Si2—O4	1.636 (4)
Na1—O3^v	2.896 (6)	Si2—O3^vi	1.640 (4)
Na1—Si1^i	2.991 (4)	Si2—Na1^xi	3.051 (4)
Na1—Si2^iv	3.051 (4)	Si2—Na1^i	3.271 (4)
Na1—Ti1	3.210 (3)	Si2—Na1^iii	3.416 (4)
Na1—Ti1^vi	3.211 (3)	O1—Ti1^v	1.995 (5)
Ti1—O6^iv	1.943 (5)	O1—Na1^i	2.360 (5)
Ti1—O1^v	1.995 (5)	O2—Ti1^viii	2.112 (5)
Ti1—O2	2.052 (4)	O3—Si2^vii	1.640 (4)
Ti1—O5^vii	2.073 (5)	O3—Na1^x	2.416 (5)
Ti1—O2^viii	2.112 (5)	O3—Na1^v	2.896 (6)
Ti1—O5^viii	2.126 (4)	O4—Na1^i	2.445 (6)
Ti1—Ti1^viii	3.071 (2)	O4—Na1^x	2.769 (5)
Ti1—Na1^vii	3.211 (3)	O5—Ti1^vi	2.073 (5)
Ti1—Ti1^ix	3.225 (2)	O5—Ti1^viii	2.126 (4)
Ti1—Na1^viii	3.517 (2)	O5—Na1^iii	2.420 (5)
Si1—O1	1.596 (5)	O6—Ti1^xi	1.943 (5)
Si1—O2	1.624 (5)	O6—Na1^xi	2.457 (5)
O1^i—Na1—O2	83.93 (17)	O5^vii—Ti1—Na1^vii	92.71 (12)
O1^i—Na1—O3^ii	139.20 (16)	O2^viii—Ti1—Na1^vii	139.12 (14)
O2—Na1—O3^ii	135.30 (17)	O5^viii—Ti1—Na1^vii	48.91 (14)
O1^i—Na1—O5^iii	78.21 (16)	Ti1^viii—Ti1—Na1^vii	179.09 (8)
O2—Na1—O5^iii	71.02 (10)	Na1—Ti1—Na1^vii	111.17 (5)
O3^ii—Na1—O5^iii	119.6 (2)	O6^iv—Ti1—Ti1^ix	129.21 (14)
O1^i—Na1—O4^i	65.53 (16)	O1^v—Ti1—Ti1^ix	91.86 (12)
O2—Na1—O4^i	117.4 (2)	O2—Ti1—Ti1^ix	133.17 (14)
O3^ii—Na1—O4^i	82.74 (10)	O5^vii—Ti1—Ti1^ix	40.43 (11)
O5^iii—Na1—O4^i	140.67 (17)	O2^viii—Ti1—Ti1^ix	86.48 (12)
O1^i—Na1—O6^iv	156.38 (11)	O5^viii—Ti1—Ti1^ix	39.23 (13)
O2—Na1—O6^iv	76.29 (17)	Ti1^viii—Ti1—Ti1^ix	114.52 (5)
O3^ii—Na1—O6^iv	63.49 (16)	Na1—Ti1—Ti1^ix	177.37 (6)
O5^iii—Na1—O6^iv	83.19 (17)	Na1^vii—Ti1—Ti1^ix	66.24 (6)
O4^i—Na1—O6^iv	135.63 (17)	O6^iv—Ti1—Na1^viii	133.71 (16)
O1^i—Na1—O4^ii	82.96 (16)	O1^v—Ti1—Na1^viii	130.63 (15)
O2—Na1—O4^ii	161.58 (16)	O2—Ti1—Na1^viii	88.38 (14)
O3^ii—Na1—O4^ii	60.94 (15)	O5^vii—Ti1—Na1^viii	42.16 (14)
O5^iii—Na1—O4^ii	93.63 (18)	O2^viii—Ti1—Na1^viii	41.71 (14)
O4^i—Na1—O4^ii	68.2 (2)	O5^viii—Ti1—Na1^viii	83.67 (14)
O6^iv—Na1—O4^ii	112.9 (2)	Ti1^viii—Ti1—Na1^viii	57.84 (6)
O1^i—Na1—O3^v	112.6 (2)	Na1—Ti1—Na1^viii	125.91 (5)
O2—Na1—O3^v	89.74 (17)	Na1^vii—Ti1—Na1^viii	122.93 (5)
O3^ii—Na1—O3^v	66.01 (19)	Ti1^ix—Ti1—Na1^viii	56.68 (5)
O5^iii—Na1—O3^v	157.27 (16)	O1—Si1—O2	117.8 (3)
O4^i—Na1—O3^v	58.97 (15)	O1—Si1—O3	110.2 (3)
O6^iv—Na1—O3^v	80.48 (16)	O2—Si1—O3	107.3 (2)
O4^ii—Na1—O3^v	107.23 (9)	O1—Si1—O4	106.4 (2)
O1^i—Na1—Si1^i	32.03 (12)	O2—Si1—O4	108.1 (3)
O2—Na1—Si1^i	102.65 (17)	O3—Si1—O4	106.5 (3)
O3^ii—Na1—Si1^i	112.17 (12)	O1—Si1—Na1^i	51.65 (15)
O5^iii—Na1—Si1^i	108.76 (14)	O2—Si1—Na1^i	132.83 (18)
O4^i—Na1—Si1^i	33.53 (11)	O3—Si1—Na1^i	119.5 (2)
O6^iv—Na1—Si1^i	167.15 (18)	O4—Si1—Na1^i	54.81 (18)
O4^ii—Na1—Si1^i	72.04 (12)	O1—Si1—Na1^x	119.1 (2)
O3^v—Na1—Si1^i	86.73 (13)	O2—Si1—Na1^x	122.8 (2)
O1^i—Na1—Si2^iv	170.47 (15)	O3—Si1—Na1^x	47.15 (16)
O2—Na1—Si2^iv	105.43 (14)	O4—Si1—Na1^x	59.49 (17)
O3^ii—Na1—Si2^iv	32.33 (10)	Na1^i—Si1—Na1^x	88.24 (8)
O5^iii—Na1—Si2^iv	102.87 (16)	O1—Si1—Na1	79.8 (2)
O4^i—Na1—Si2^iv	110.44 (12)	O2—Si1—Na1	40.02 (18)
O6^iv—Na1—Si2^iv	31.17 (11)	O3—Si1—Na1	136.95 (18)
O4^ii—Na1—Si2^iv	87.52 (13)	O4—Si1—Na1	110.37 (19)
O3^v—Na1—Si2^iv	69.93 (11)	Na1^i—Si1—Na1	99.81 (11)
Si1^i—Na1—Si2^iv	143.00 (6)	Na1^x—Si1—Na1	159.66 (11)
O1^i—Na1—Ti1	123.51 (14)	O6—Si2—O5	116.2 (3)
O2—Na1—Ti1	39.72 (11)	O6—Si2—O4	109.1 (3)
O3^ii—Na1—Ti1	96.78 (13)	O5—Si2—O4	108.6 (2)
O5^iii—Na1—Ti1	79.08 (11)	O6—Si2—O3^vi	105.2 (2)
O4^i—Na1—Ti1	133.56 (17)	O5—Si2—O3^vi	109.0 (3)
O6^iv—Na1—Ti1	37.20 (12)	O4—Si2—O3^vi	108.5 (3)
O4^ii—Na1—Ti1	149.44 (18)	O6—Si2—Na1^xi	53.26 (16)
O3^v—Na1—Ti1	78.34 (11)	O5—Si2—Na1^xi	130.34 (18)
Si1^i—Na1—Ti1	138.46 (14)	O4—Si2—Na1^xi	120.8 (2)
Si2^iv—Na1—Ti1	65.76 (8)	O3^vi—Si2—Na1^xi	52.00 (17)
O1^i—Na1—Ti1^vi	38.26 (12)	O6—Si2—Na1^i	119.3 (2)
O2—Na1—Ti1^vi	82.45 (11)	O5—Si2—Na1^i	124.1 (2)
O3^ii—Na1—Ti1^vi	136.23 (17)	O4—Si2—Na1^i	46.28 (17)
O5^iii—Na1—Ti1^vi	41.46 (10)	O3^vi—Si2—Na1^i	62.19 (18)
O4^i—Na1—Ti1^vi	99.57 (14)	Na1^xi—Si2—Na1^i	89.71 (8)
O6^iv—Na1—Ti1^vi	124.62 (15)	O6—Si2—Na1^iii	77.1 (2)
O4^ii—Na1—Ti1^vi	79.25 (11)	O5—Si2—Na1^iii	40.49 (18)
O3^v—Na1—Ti1^vi	150.29 (17)	O4—Si2—Na1^iii	135.43 (19)
Si1^i—Na1—Ti1^vi	67.35 (8)	O3^vi—Si2—Na1^iii	112.19 (19)
Si2^iv—Na1—Ti1^vi	139.77 (15)	Na1^xi—Si2—Na1^iii	98.68 (11)
Ti1—Na1—Ti1^vi	111.17 (5)	Na1^i—Si2—Na1^iii	163.23 (11)
O6^iv—Ti1—O1^v	95.48 (12)	Si1—O1—Ti1^v	146.9 (3)
O6^iv—Ti1—O2	97.18 (18)	Si1—O1—Na1^i	96.3 (2)
O1^v—Ti1—O2	89.34 (18)	Ti1^v—O1—Na1^i	94.6 (2)
O6^iv—Ti1—O5^vii	169.14 (18)	Si1—O2—Ti1	123.4 (2)
O1^v—Ti1—O5^vii	88.77 (19)	Si1—O2—Ti1^viii	123.7 (3)
O2—Ti1—O5^vii	92.85 (17)	Ti1—O2—Ti1^viii	95.02 (19)
O6^iv—Ti1—O2^viii	92.84 (19)	Si1—O2—Na1	114.1 (3)
O1^v—Ti1—O2^viii	170.5 (2)	Ti1—O2—Na1	92.05 (19)
O2—Ti1—O2^viii	84.98 (19)	Ti1^viii—O2—Na1	102.38 (19)
O5^vii—Ti1—O2^viii	83.87 (11)	Si2^vii—O3—Si1	139.8 (3)
O6^iv—Ti1—O5^viii	90.06 (18)	Si2^vii—O3—Na1^x	95.7 (2)
O1^v—Ti1—O5^viii	94.02 (18)	Si1—O3—Na1^x	102.8 (2)
O2—Ti1—O5^viii	171.70 (12)	Si2^vii—O3—Na1^v	87.74 (18)
O5^vii—Ti1—O5^viii	79.66 (19)	Si1—O3—Na1^v	115.6 (2)
O2^viii—Ti1—O5^viii	90.63 (17)	Na1^x—O3—Na1^v	113.99 (19)
O6^iv—Ti1—Ti1^viii	96.75 (13)	Si2—O4—Si1	139.7 (4)
O1^v—Ti1—Ti1^viii	132.10 (15)	Si2—O4—Na1^i	104.8 (2)
O2—Ti1—Ti1^viii	43.24 (13)	Si1—O4—Na1^i	91.7 (2)
O5^vii—Ti1—Ti1^viii	87.69 (11)	Si2—O4—Na1^x	116.4 (2)
O2^viii—Ti1—Ti1^viii	41.74 (12)	Si1—O4—Na1^x	89.56 (18)
O5^viii—Ti1—Ti1^viii	131.99 (15)	Na1^i—O4—Na1^x	111.8 (2)
O6^iv—Ti1—Na1	49.86 (14)	Si2—O5—Ti1^vi	124.0 (3)
O1^v—Ti1—Na1	85.87 (13)	Si2—O5—Ti1^viii	120.2 (2)
O2—Ti1—Na1	48.23 (14)	Ti1^vi—O5—Ti1^viii	100.34 (19)
O5^vii—Ti1—Na1	140.68 (14)	Si2—O5—Na1^iii	113.6 (3)
O2^viii—Ti1—Na1	95.97 (13)	Ti1^vi—O5—Na1^iii	102.73 (19)
O5^viii—Ti1—Na1	139.54 (14)	Ti1^viii—O5—Na1^iii	89.63 (18)
Ti1^viii—Ti1—Na1	68.06 (6)	Si2—O6—Ti1^xi	148.8 (3)
O6^iv—Ti1—Na1^vii	82.99 (13)	Si2—O6—Na1^xi	95.6 (2)
O1^v—Ti1—Na1^vii	47.11 (14)	Ti1^xi—O6—Na1^xi	92.94 (19)
O2—Ti1—Na1^vii	135.90 (15)

Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) x, y+1, z; (iii) −x+2, −y+1, −z+2; (iv) x−1, y+1, z; (v) −x+1, −y+1, −z+1; (vi) x+1, y, z; (vii) x−1, y, z; (viii) −x+1, −y+1, −z+2; (ix) −x, −y+1, −z+2; (x) x, y−1, z; (xi) x+1, y−1, z.