Structural filiations in the new complex titanates SrLiMTi₄O₁₁ (M = Cr, Fe)

Two new titanates of strontium, lithium and a 3d metal, with the composition SrLiMTi₄O₁₁ (M = Cr, Fe), have been discovered. Single crystals were obtained by spontaneous crystallization from a high-temperature solution with LiBO₂ as the solvent. The structure of SrLiCrTi₄O₁₁ was refined in the orthorhombic space group Pnma (Z = 4), while SrLiFeTi₄O₁₁ appeared to adopt a four-times larger orthorhombic unit cell with Pbcn (Z = 16). The structures can be described by a close-packed arrangement of Sr and O atoms. The unit cell contains six `compact planes' perpendicular to [100] in the layer sequence ABACBC [(chc)₂]. Ti and Cr or Fe atoms occupy some of the interstitial octahedral sites created, whereas Li atoms are in tetrahedral sites. Depending on the synthesis conditions of SrLiCrTi₄O₁₁, the distribution of Cr and Ti atoms on the four possible crystallographic sites is not the same. Having a similar compact-planes sequence, SrLiCrTi₄O₁₁ and SrLiFeTi₄O₁₁ structures differ in the arrangement of Sr and O atoms per layer of close packing, which also induces a correlated variation in the Li-tetrahedra distribution.

S1. Comment

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Computing details

For all compounds, data collection: Collect, Nonius B.V., 1999). Cell refinement: DENZO-SCALEPACK(Otwinowski,Minor,1997) for cr312; DENZO-SCALEPACK(Otwinovski,Minor,1997) for cr4d, srfei. Data reduction: DENZO-SCALEPACK(Otwinowski,Minor,1997) for cr312; DENZO-SCALEPACK(Otwinovski,Minor,1997) for cr4d, srfei. Program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a) for cr312; SHELXS97 (Sheldrick, 1997) for cr4d, srfei. Program(s) used to refine structure: SHELXL97 (Sheldrick, 1997b) for cr312; SHELXL97 (Sheldrick, 1997) for cr4d, srfei.

Figures

(cr312)

Crystal data

CrLiO11SrTi4	Dx = 4.337 Mg m^−3
Mr = 514.16	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pnma	Cell parameters from 4 reflections
a = 13.818 (1) Å	θ = 1–2°
b = 5.755 (1) Å	µ = 11.73 mm^−1
c = 9.901 (1) Å	T = 293 K
V = 787.35 (17) Å^3	Oval block, dark green
Z = 4	0.09 × 0.08 × 0.07 mm
F(000) = 876

Data collection

Four-circle diffractometer	1393 reflections with I > 2σ(I)
phi and ω scans	Rint = 0.025
Absorption correction: multi-scan ?	θmax = 32.0°, θmin = 2.5°
Tmin = 0.35, Tmax = 0.44	h = −20→20
10321 measured reflections	k = −8→8
1493 independent reflections	l = −14→14

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0153P)^2 + 2.5599P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.023	(Δ/σ)max = 0.001
wR(F^2) = 0.056	Δρmax = 0.63 e Å^−3
S = 1.20	Δρmin = −0.63 e Å^−3
1493 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
98 parameters	Extinction coefficient: 0.0030 (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	Occ. (<1)
Sr	0.09471 (3)	0.25	0.10275 (5)	0.01091 (12)
Ti1	0.00055 (6)	0.25	0.77075 (8)	0.00826 (16)	0.67
Cr1	0.00055 (6)	0.25	0.77075 (8)	0.00826 (16)	0.33
Ti2	0.33115 (6)	0.25	0.89032 (8)	0.00912 (16)	0.67
Cr2	0.33115 (6)	0.25	0.89032 (8)	0.00912 (16)	0.33
Ti3	0.33494 (6)	0.25	0.42830 (8)	0.00835 (16)	0.67
Cr3	0.33494 (6)	0.25	0.42830 (8)	0.00835 (16)	0.33
Ti4	0.17185 (4)	0.00092 (10)	0.66165 (6)	0.00814 (13)
Li	0.0405 (7)	0.25	0.4219 (9)	0.0126 (16)
O1	0.0863 (2)	0.25	0.6048 (3)	0.0051 (5)
O2	0.2455 (2)	0.25	0.7430 (3)	0.0059 (5)
O3	0.2609 (2)	0.25	0.2539 (3)	0.0053 (5)
O4	0.3979 (2)	0.25	0.0686 (3)	0.0057 (5)
O5	0.4337 (2)	0.25	0.5611 (3)	0.0096 (6)
O6	0.24427 (16)	0.0019 (4)	0.9997 (2)	0.0065 (4)
O7	0.41442 (15)	0.0066 (4)	0.3269 (2)	0.0075 (4)
O8	0.41419 (15)	0.0275 (4)	0.8156 (2)	0.0061 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sr	0.0103 (2)	0.0108 (2)	0.0116 (2)	0	0.00077 (15)	0
Ti1	0.0081 (3)	0.0092 (3)	0.0075 (3)	0	0.0008 (3)	0
Cr1	0.0081 (3)	0.0092 (3)	0.0075 (3)	0	0.0008 (3)	0
Ti2	0.0076 (3)	0.0131 (4)	0.0067 (3)	0	−0.0009 (2)	0
Cr2	0.0076 (3)	0.0131 (4)	0.0067 (3)	0	−0.0009 (2)	0
Ti3	0.0080 (3)	0.0094 (3)	0.0076 (3)	0	−0.0011 (3)	0
Cr3	0.0080 (3)	0.0094 (3)	0.0076 (3)	0	−0.0011 (3)	0
Ti4	0.0082 (2)	0.0086 (2)	0.0076 (2)	0.00075 (18)	−0.00053 (18)	−0.00020 (18)
Li	0.017 (4)	0.012 (4)	0.009 (3)	0	−0.005 (3)	0
O1	0.0048 (12)	0.0054 (13)	0.0051 (13)	0	−0.0008 (10)	0
O2	0.0063 (12)	0.0055 (12)	0.0058 (12)	0	−0.0009 (10)	0
O3	0.0046 (12)	0.0053 (12)	0.0060 (12)	0	0.0001 (10)	0
O4	0.0042 (12)	0.0067 (13)	0.0061 (13)	0	−0.0005 (10)	0
O5	0.0076 (13)	0.0150 (15)	0.0063 (13)	0	−0.0034 (11)	0
O6	0.0073 (9)	0.0056 (8)	0.0065 (8)	−0.0010 (7)	−0.0008 (7)	−0.0003 (7)
O7	0.0064 (8)	0.0062 (9)	0.0098 (9)	0.0014 (7)	0.0003 (7)	−0.0015 (8)
O8	0.0054 (8)	0.0054 (9)	0.0075 (9)	−0.0003 (7)	0.0003 (7)	−0.0003 (7)

Geometric parameters (Å, º)

Sr—O8^i	2.647 (2)	Ti3—Ti4^i	3.0107 (9)
Sr—O8^ii	2.647 (2)	Ti3—Sr^xvii	3.4941 (7)
Sr—O6^iii	2.711 (2)	Ti3—Sr^xiii	3.4941 (7)
Sr—O6^iv	2.711 (2)	Ti4—O2	1.934 (2)
Sr—O3	2.741 (3)	Ti4—O1	1.941 (2)
Sr—O5^v	2.753 (3)	Ti4—O3^xiii	1.945 (2)
Sr—O5^ii	2.9334 (8)	Ti4—O4^xiii	1.966 (2)
Sr—O5^vi	2.9334 (8)	Ti4—O6^ii	1.978 (2)
Sr—O7^v	2.942 (2)	Ti4—O7^xiii	2.025 (2)
Sr—O7^vii	2.942 (2)	Ti4—Ti4^xiv	2.8669 (13)
Sr—O7^ii	3.108 (2)	Ti4—Ti4^xviii	2.8881 (13)
Sr—O7^i	3.108 (2)	Li—O1	1.919 (9)
Sr—Li	3.248 (9)	Li—O4^v	1.972 (9)
Sr—Ti1^viii	3.4031 (6)	Li—O8^ii	2.013 (6)
Sr—Ti1^ix	3.4031 (6)	Li—O8^i	2.013 (6)
Ti1—O5^x	1.904 (3)	Li—Ti4^xiv	3.314 (8)
Ti1—O8^x	1.948 (2)	Li—Ti4^viii	3.373 (8)
Ti1—O8^xi	1.948 (2)	Li—Ti4^xix	3.373 (8)
Ti1—O7^xii	1.967 (2)	Li—Ti2^vi	3.395 (5)
Ti1—O7^xiii	1.967 (2)	O1—Ti4^xiv	1.941 (2)
Ti1—O1	2.025 (3)	O2—Ti4^xiv	1.934 (2)
Ti1—Cr2^x	2.8323 (11)	O3—Ti4^ii	1.945 (2)
Ti1—Ti2^x	2.8323 (11)	O3—Ti4^i	1.945 (2)
Ti1—Ti4^xiv	2.9706 (9)	O4—Ti4^i	1.966 (2)
Ti1—Ti4	2.9706 (9)	O4—Ti4^ii	1.966 (2)
Ti2—O8	1.872 (2)	O4—Li^xx	1.972 (9)
Ti2—O8^xiv	1.872 (2)	O4—Ti2^iv	1.991 (3)
Ti2—O2	1.879 (3)	O5—Ti1^xvi	1.904 (3)
Ti2—O4^xv	1.991 (3)	O5—Sr^xx	2.753 (3)
Ti2—O6^xiv	2.157 (2)	O5—Sr^xiii	2.9334 (8)
Ti2—O6	2.157 (2)	O5—Sr^xvii	2.9334 (8)
Ti2—Cr1^xvi	2.8323 (11)	O6—Ti3^xiii	1.949 (2)
Ti2—Ti1^xvi	2.8323 (11)	O6—Ti4^xiii	1.978 (2)
Ti2—Ti4^xii	3.0503 (9)	O6—Sr^xv	2.711 (2)
Ti2—Ti4^xiii	3.0503 (9)	O7—Ti1^ii	1.967 (2)
Ti3—O5	1.895 (3)	O7—Ti4^ii	2.025 (2)
Ti3—O6^i	1.949 (2)	O7—Sr^xx	2.942 (2)
Ti3—O6^ii	1.949 (2)	O7—Sr^xiii	3.108 (2)
Ti3—O3	2.007 (3)	O8—Ti1^xvi	1.948 (2)
Ti3—O7	2.043 (2)	O8—Li^xiii	2.013 (6)
Ti3—O7^xiv	2.043 (2)	O8—Sr^xiii	2.647 (2)
Ti3—Ti4^ii	3.0107 (9)
O8^i—Sr—O8^ii	74.21 (10)	O8^xiv—Ti2—Ti4^xiii	132.87 (7)
O8^i—Sr—O6^iii	90.99 (7)	O2—Ti2—Ti4^xiii	132.48 (8)
O8^ii—Sr—O6^iii	130.74 (6)	O4^xv—Ti2—Ti4^xiii	39.26 (6)
O8^i—Sr—O6^iv	130.74 (6)	O6^xiv—Ti2—Ti4^xiii	82.15 (6)
O8^ii—Sr—O6^iv	90.99 (7)	O6—Ti2—Ti4^xiii	40.25 (6)
O6^iii—Sr—O6^iv	63.56 (9)	Cr1^xvi—Ti2—Ti4^xiii	120.47 (3)
O8^i—Sr—O3	66.68 (7)	Ti1^xvi—Ti2—Ti4^xiii	120.47 (3)
O8^ii—Sr—O3	66.68 (7)	Ti4^xii—Ti2—Ti4^xiii	56.51 (3)
O6^iii—Sr—O3	64.33 (7)	O5—Ti3—O6^i	98.79 (10)
O6^iv—Sr—O3	64.33 (7)	O5—Ti3—O6^ii	98.79 (10)
O8^i—Sr—O5^v	115.57 (7)	O6^i—Ti3—O6^ii	96.09 (13)
O8^ii—Sr—O5^v	115.57 (7)	O5—Ti3—O3	164.56 (14)
O6^iii—Sr—O5^v	113.22 (7)	O6^i—Ti3—O3	91.48 (9)
O6^iv—Sr—O5^v	113.22 (7)	O6^ii—Ti3—O3	91.48 (9)
O3—Sr—O5^v	176.99 (9)	O5—Ti3—O7	87.34 (10)
O8^i—Sr—O5^ii	134.23 (8)	O6^i—Ti3—O7	171.79 (10)
O8^ii—Sr—O5^ii	60.93 (8)	O6^ii—Ti3—O7	88.30 (9)
O6^iii—Sr—O5^ii	124.46 (8)	O3—Ti3—O7	81.45 (9)
O6^iv—Sr—O5^ii	62.14 (8)	O5—Ti3—O7^xiv	87.34 (10)
O3—Sr—O5^ii	100.90 (6)	O6^i—Ti3—O7^xiv	88.30 (9)
O5^v—Sr—O5^ii	78.98 (6)	O6^ii—Ti3—O7^xiv	171.79 (10)
O8^i—Sr—O5^vi	60.93 (8)	O3—Ti3—O7^xiv	81.45 (9)
O8^ii—Sr—O5^vi	134.23 (8)	O7—Ti3—O7^xiv	86.53 (13)
O6^iii—Sr—O5^vi	62.14 (8)	O5—Ti3—Ti4^ii	129.10 (9)
O6^iv—Sr—O5^vi	124.46 (8)	O6^i—Ti3—Ti4^ii	131.10 (7)
O3—Sr—O5^vi	100.90 (6)	O6^ii—Ti3—Ti4^ii	86.79 (7)
O5^v—Sr—O5^vi	78.98 (6)	O3—Ti3—Ti4^ii	39.62 (6)
O5^ii—Sr—O5^vi	157.59 (13)	O7—Ti3—Ti4^ii	42.03 (6)
O8^i—Sr—O7^v	93.40 (7)	O7^xiv—Ti3—Ti4^ii	85.10 (7)
O8^ii—Sr—O7^v	59.00 (6)	O5—Ti3—Ti4^i	129.10 (9)
O6^iii—Sr—O7^v	170.20 (6)	O6^i—Ti3—Ti4^i	86.79 (7)
O6^iv—Sr—O7^v	118.94 (6)	O6^ii—Ti3—Ti4^i	131.10 (7)
O3—Sr—O7^v	125.47 (7)	O3—Ti3—Ti4^i	39.62 (6)
O5^v—Sr—O7^v	56.99 (7)	O7—Ti3—Ti4^i	85.10 (7)
O5^ii—Sr—O7^v	56.82 (8)	O7^xiv—Ti3—Ti4^i	42.03 (6)
O5^vi—Sr—O7^v	112.76 (8)	Ti4^ii—Ti3—Ti4^i	57.32 (3)
O8^i—Sr—O7^vii	59.00 (6)	O5—Ti3—Sr^xvii	57.09 (2)
O8^ii—Sr—O7^vii	93.40 (7)	O6^i—Ti3—Sr^xvii	50.54 (7)
O6^iii—Sr—O7^vii	118.94 (6)	O6^ii—Ti3—Sr^xvii	126.11 (7)
O6^iv—Sr—O7^vii	170.20 (6)	O3—Ti3—Sr^xvii	124.550 (13)
O3—Sr—O7^vii	125.47 (7)	O7—Ti3—Sr^xvii	131.13 (7)
O5^v—Sr—O7^vii	56.99 (7)	O7^xiv—Ti3—Sr^xvii	61.89 (6)
O5^ii—Sr—O7^vii	112.76 (8)	Ti4^ii—Ti3—Sr^xvii	146.84 (2)
O5^vi—Sr—O7^vii	56.82 (8)	Ti4^i—Ti3—Sr^xvii	92.703 (17)
O7^v—Sr—O7^vii	56.86 (9)	O5—Ti3—Sr^xiii	57.09 (2)
O8^i—Sr—O7^ii	169.93 (6)	O6^i—Ti3—Sr^xiii	126.11 (7)
O8^ii—Sr—O7^ii	114.28 (6)	O6^ii—Ti3—Sr^xiii	50.54 (7)
O6^iii—Sr—O7^ii	87.17 (6)	O3—Ti3—Sr^xiii	124.550 (13)
O6^iv—Sr—O7^ii	56.63 (6)	O7—Ti3—Sr^xiii	61.89 (6)
O3—Sr—O7^ii	120.92 (7)	O7^xiv—Ti3—Sr^xiii	131.13 (7)
O5^v—Sr—O7^ii	56.59 (7)	Ti4^ii—Ti3—Sr^xiii	92.703 (17)
O5^ii—Sr—O7^ii	53.46 (7)	Ti4^i—Ti3—Sr^xiii	146.84 (2)
O5^vi—Sr—O7^ii	109.70 (8)	Sr^xvii—Ti3—Sr^xiii	110.88 (3)
O7^v—Sr—O7^ii	86.99 (6)	O2—Ti4—O1	83.90 (10)
O7^vii—Sr—O7^ii	113.58 (4)	O2—Ti4—O3^xiii	95.93 (9)
O8^i—Sr—O7^i	114.28 (6)	O1—Ti4—O3^xiii	167.22 (13)
O8^ii—Sr—O7^i	169.93 (6)	O2—Ti4—O4^xiii	176.34 (13)
O6^iii—Sr—O7^i	56.63 (6)	O1—Ti4—O4^xiii	96.19 (10)
O6^iv—Sr—O7^i	87.17 (6)	O3^xiii—Ti4—O4^xiii	84.79 (10)
O3—Sr—O7^i	120.92 (7)	O2—Ti4—O6^ii	92.02 (11)
O5^v—Sr—O7^i	56.59 (7)	O1—Ti4—O6^ii	97.36 (11)
O5^ii—Sr—O7^i	109.70 (8)	O3^xiii—Ti4—O6^ii	95.42 (11)
O5^vi—Sr—O7^i	53.46 (7)	O4^xiii—Ti4—O6^ii	84.33 (11)
O7^v—Sr—O7^i	113.58 (4)	O2—Ti4—O7^xiii	89.38 (11)
O7^vii—Sr—O7^i	86.99 (6)	O1—Ti4—O7^xiii	83.77 (11)
O7^ii—Sr—O7^i	56.76 (8)	O3^xiii—Ti4—O7^xiii	83.45 (11)
O8^i—Sr—Li	38.24 (6)	O4^xiii—Ti4—O7^xiii	94.27 (11)
O8^ii—Sr—Li	38.24 (6)	O6^ii—Ti4—O7^xiii	178.29 (10)
O6^iii—Sr—Li	122.82 (13)	O2—Ti4—Ti4^xiv	42.15 (7)
O6^iv—Sr—Li	122.82 (13)	O1—Ti4—Ti4^xiv	42.41 (7)
O3—Sr—Li	70.25 (17)	O3^xiii—Ti4—Ti4^xiv	137.94 (7)
O5^v—Sr—Li	112.75 (17)	O4^xiii—Ti4—Ti4^xiv	137.28 (7)
O5^ii—Sr—Li	96.08 (7)	O6^ii—Ti4—Ti4^xiv	90.47 (7)
O5^vi—Sr—Li	96.08 (7)	O7^xiii—Ti4—Ti4^xiv	91.23 (7)
O7^v—Sr—Li	64.79 (14)	O2—Ti4—Ti4^xviii	137.85 (7)
O7^vii—Sr—Li	64.79 (14)	O1—Ti4—Ti4^xviii	137.59 (7)
O7^ii—Sr—Li	147.76 (8)	O3^xiii—Ti4—Ti4^xviii	42.06 (7)
O7^i—Sr—Li	147.76 (8)	O4^xiii—Ti4—Ti4^xviii	42.72 (7)
O8^i—Sr—Ti1^viii	101.49 (5)	O6^ii—Ti4—Ti4^xviii	89.53 (7)
O8^ii—Sr—Ti1^viii	34.81 (5)	O7^xiii—Ti4—Ti4^xviii	88.77 (7)
O6^iii—Sr—Ti1^viii	151.48 (5)	Ti4^xiv—Ti4—Ti4^xviii	180
O6^iv—Sr—Ti1^viii	89.31 (5)	O2—Ti4—Ti1	84.84 (8)
O3—Sr—Ti1^viii	97.07 (4)	O1—Ti4—Ti1	42.59 (9)
O5^v—Sr—Ti1^viii	84.51 (4)	O3^xiii—Ti4—Ti1	124.63 (9)
O5^ii—Sr—Ti1^viii	33.95 (6)	O4^xiii—Ti4—Ti1	97.72 (8)
O5^vi—Sr—Ti1^viii	146.04 (7)	O6^ii—Ti4—Ti1	139.95 (7)
O7^v—Sr—Ti1^viii	35.19 (4)	O7^xiii—Ti4—Ti1	41.19 (6)
O7^vii—Sr—Ti1^viii	89.31 (5)	Ti4^xiv—Ti4—Ti1	61.149 (14)
O7^ii—Sr—Ti1^viii	84.60 (4)	Ti4^xviii—Ti4—Ti1	118.851 (14)
O7^i—Sr—Ti1^viii	135.20 (4)	O1—Li—O4^v	106.5 (4)
Li—Sr—Ti1^viii	63.43 (5)	O1—Li—O8^ii	113.0 (3)
O8^i—Sr—Ti1^ix	34.81 (5)	O4^v—Li—O8^ii	109.6 (3)
O8^ii—Sr—Ti1^ix	101.49 (5)	O1—Li—O8^i	113.0 (3)
O6^iii—Sr—Ti1^ix	89.31 (5)	O4^v—Li—O8^i	109.6 (3)
O6^iv—Sr—Ti1^ix	151.48 (5)	O8^ii—Li—O8^i	105.0 (4)
O3—Sr—Ti1^ix	97.07 (4)	O1—Li—Sr	147.4 (4)
O5^v—Sr—Ti1^ix	84.51 (4)	O4^v—Li—Sr	106.1 (3)
O5^ii—Sr—Ti1^ix	146.04 (7)	O8^ii—Li—Sr	54.5 (2)
O5^vi—Sr—Ti1^ix	33.95 (6)	O8^i—Li—Sr	54.5 (2)
O7^v—Sr—Ti1^ix	89.31 (5)	O1—Li—Ti4^xiv	31.04 (11)
O7^vii—Sr—Ti1^ix	35.19 (4)	O4^v—Li—Ti4^xiv	120.9 (3)
O7^ii—Sr—Ti1^ix	135.20 (4)	O8^ii—Li—Ti4^xiv	123.2 (3)
O7^i—Sr—Ti1^ix	84.60 (4)	O8^i—Li—Ti4^xiv	82.0 (2)
Li—Sr—Ti1^ix	63.43 (5)	Sr—Li—Ti4^xiv	124.8 (2)
Ti1^viii—Sr—Ti1^ix	115.46 (3)	O1—Li—Ti4	31.04 (11)
O5^x—Ti1—O8^x	94.98 (10)	O4^v—Li—Ti4	120.9 (3)
O5^x—Ti1—O8^xi	94.98 (10)	O8^ii—Li—Ti4	82.0 (2)
O8^x—Ti1—O8^xi	82.21 (13)	O8^i—Li—Ti4	123.2 (3)
O5^x—Ti1—O7^xii	92.43 (10)	Sr—Li—Ti4	124.8 (2)
O8^x—Ti1—O7^xii	169.52 (10)	Ti4^xiv—Li—Ti4	51.25 (13)
O8^xi—Ti1—O7^xii	89.79 (9)	O1—Li—Ti4^viii	121.2 (3)
O5^x—Ti1—O7^xiii	92.43 (10)	O4^v—Li—Ti4^viii	31.01 (11)
O8^x—Ti1—O7^xiii	89.79 (9)	O8^ii—Li—Ti4^viii	78.6 (2)
O8^xi—Ti1—O7^xiii	169.52 (10)	O8^i—Li—Ti4^viii	118.8 (3)
O7^xii—Ti1—O7^xiii	97.30 (14)	Sr—Li—Ti4^viii	87.82 (19)
O5^x—Ti1—O1	173.20 (14)	Ti4^xiv—Li—Ti4^viii	146.9 (3)
O8^x—Ti1—O1	90.13 (9)	Ti4—Li—Ti4^viii	117.84 (15)
O8^xi—Ti1—O1	90.13 (9)	O1—Li—Ti4^xix	121.2 (3)
O7^xii—Ti1—O1	83.10 (9)	O4^v—Li—Ti4^xix	31.01 (11)
O7^xiii—Ti1—O1	83.10 (9)	O8^ii—Li—Ti4^xix	118.8 (3)
O5^x—Ti1—Cr2^x	95.27 (11)	O8^i—Li—Ti4^xix	78.6 (2)
O8^x—Ti1—Cr2^x	41.12 (7)	Sr—Li—Ti4^xix	87.82 (19)
O8^xi—Ti1—Cr2^x	41.12 (7)	Ti4^xiv—Li—Ti4^xix	117.84 (15)
O7^xii—Ti1—Cr2^x	130.74 (7)	Ti4—Li—Ti4^xix	146.9 (3)
O7^xiii—Ti1—Cr2^x	130.74 (7)	Ti4^viii—Li—Ti4^xix	50.70 (13)
O1—Ti1—Cr2^x	91.53 (9)	O1—Li—Ti2^vi	85.1 (2)
O5^x—Ti1—Ti2^x	95.27 (11)	O4^v—Li—Ti2^vi	121.76 (13)
O8^x—Ti1—Ti2^x	41.12 (7)	O8^ii—Li—Ti2^vi	117.5 (4)
O8^xi—Ti1—Ti2^x	41.12 (7)	O8^i—Li—Ti2^vi	27.94 (12)
O7^xii—Ti1—Ti2^x	130.74 (7)	Sr—Li—Ti2^vi	77.86 (16)
O7^xiii—Ti1—Ti2^x	130.74 (7)	Ti4^xiv—Li—Ti2^vi	54.07 (9)
O1—Ti1—Ti2^x	91.53 (9)	Ti4—Li—Ti2^vi	98.4 (2)
Cr2^x—Ti1—Ti2^x	0.000 (18)	Ti4^viii—Li—Ti2^vi	142.6 (2)
O5^x—Ti1—Ti4^xiv	134.78 (8)	Ti4^xix—Li—Ti2^vi	93.96 (8)
O8^x—Ti1—Ti4^xiv	130.22 (7)	Li—O1—Ti4^xiv	118.33 (18)
O8^xi—Ti1—Ti4^xiv	90.65 (7)	Li—O1—Ti4	118.33 (18)
O7^xii—Ti1—Ti4^xiv	42.66 (7)	Ti4^xiv—O1—Ti4	95.18 (13)
O7^xiii—Ti1—Ti4^xiv	89.38 (7)	Li—O1—Ti1	124.9 (3)
O1—Ti1—Ti4^xiv	40.45 (6)	Ti4^xiv—O1—Ti1	96.96 (11)
Cr2^x—Ti1—Ti4^xiv	116.99 (3)	Ti4—O1—Ti1	96.96 (11)
Ti2^x—Ti1—Ti4^xiv	116.99 (3)	Ti2—O2—Ti4	130.92 (7)
O5^x—Ti1—Ti4	134.78 (8)	Ti2—O2—Ti4^xiv	130.92 (7)
O8^x—Ti1—Ti4	90.65 (7)	Ti4—O2—Ti4^xiv	95.70 (14)
O8^xi—Ti1—Ti4	130.22 (7)	Ti4^ii—O3—Ti4^i	95.87 (13)
O7^xii—Ti1—Ti4	89.38 (7)	Ti4^ii—O3—Ti3	99.23 (11)
O7^xiii—Ti1—Ti4	42.66 (7)	Ti4^i—O3—Ti3	99.23 (11)
O1—Ti1—Ti4	40.45 (6)	Ti4^ii—O3—Sr	98.27 (10)
Cr2^x—Ti1—Ti4	116.99 (3)	Ti4^i—O3—Sr	98.27 (10)
Ti2^x—Ti1—Ti4	116.99 (3)	Ti3—O3—Sr	153.75 (14)
Ti4^xiv—Ti1—Ti4	57.70 (3)	Ti4^i—O4—Ti4^ii	94.55 (14)
O8—Ti2—O8^xiv	86.34 (14)	Ti4^i—O4—Li^xx	117.87 (18)
O8—Ti2—O2	94.55 (10)	Ti4^ii—O4—Li^xx	117.87 (18)
O8^xiv—Ti2—O2	94.55 (10)	Ti4^i—O4—Ti2^iv	100.86 (11)
O8—Ti2—O4^xv	93.80 (9)	Ti4^ii—O4—Ti2^iv	100.86 (11)
O8^xiv—Ti2—O4^xv	93.80 (10)	Li^xx—O4—Ti2^iv	120.3 (3)
O2—Ti2—O4^xv	168.53 (14)	Ti3—O5—Ti1^xvi	162.9 (2)
O8—Ti2—O6^xiv	172.95 (10)	Ti3—O5—Sr^xx	99.99 (13)
O8^xiv—Ti2—O6^xiv	94.97 (9)	Ti1^xvi—O5—Sr^xx	97.10 (13)
O2—Ti2—O6^xiv	92.25 (9)	Ti3—O5—Sr^xiii	90.06 (7)
O4^xv—Ti2—O6^xiv	79.20 (9)	Ti1^xvi—O5—Sr^xiii	86.67 (7)
O8—Ti2—O6	94.97 (9)	Sr^xx—O5—Sr^xiii	101.02 (6)
O8^xiv—Ti2—O6	172.95 (10)	Ti3—O5—Sr^xvii	90.06 (7)
O2—Ti2—O6	92.25 (9)	Ti1^xvi—O5—Sr^xvii	86.67 (7)
O4^xv—Ti2—O6	79.20 (9)	Sr^xx—O5—Sr^xvii	101.02 (6)
O6^xiv—Ti2—O6	82.89 (12)	Sr^xiii—O5—Sr^xvii	157.59 (13)
O8—Ti2—Cr1^xvi	43.19 (7)	Ti3^xiii—O6—Ti4^xiii	128.09 (12)
O8^xiv—Ti2—Cr1^xvi	43.19 (7)	Ti3^xiii—O6—Ti2	128.50 (11)
O2—Ti2—Cr1^xvi	94.79 (10)	Ti4^xiii—O6—Ti2	94.95 (9)
O4^xv—Ti2—Cr1^xvi	96.67 (9)	Ti3^xiii—O6—Sr^xv	95.75 (8)
O6^xiv—Ti2—Cr1^xvi	137.96 (6)	Ti4^xiii—O6—Sr^xv	98.40 (8)
O6—Ti2—Cr1^xvi	137.96 (6)	Ti2—O6—Sr^xv	105.34 (9)
O8—Ti2—Ti1^xvi	43.19 (7)	Ti1^ii—O7—Ti4^ii	96.15 (10)
O8^xiv—Ti2—Ti1^xvi	43.19 (7)	Ti1^ii—O7—Ti3	166.98 (13)
O2—Ti2—Ti1^xvi	94.79 (10)	Ti4^ii—O7—Ti3	95.47 (9)
O4^xv—Ti2—Ti1^xvi	96.67 (9)	Ti1^ii—O7—Sr^xx	85.33 (7)
O6^xiv—Ti2—Ti1^xvi	137.96 (6)	Ti4^ii—O7—Sr^xx	134.44 (10)
O6—Ti2—Ti1^xvi	137.96 (6)	Ti3—O7—Sr^xx	90.72 (8)
Cr1^xvi—Ti2—Ti1^xvi	0.00 (3)	Ti1^ii—O7—Sr^xiii	85.17 (8)
O8—Ti2—Ti4^xii	132.87 (7)	Ti4^ii—O7—Sr^xiii	132.54 (10)
O8^xiv—Ti2—Ti4^xii	91.86 (7)	Ti3—O7—Sr^xiii	82.65 (7)
O2—Ti2—Ti4^xii	132.48 (8)	Sr^xx—O7—Sr^xiii	93.01 (6)
O4^xv—Ti2—Ti4^xii	39.26 (6)	Ti2—O8—Ti1^xvi	95.69 (10)
O6^xiv—Ti2—Ti4^xii	40.25 (6)	Ti2—O8—Li^xiii	121.8 (3)
O6—Ti2—Ti4^xii	82.15 (6)	Ti1^xvi—O8—Li^xiii	124.1 (3)
Cr1^xvi—Ti2—Ti4^xii	120.47 (3)	Ti2—O8—Sr^xiii	134.34 (10)
Ti1^xvi—Ti2—Ti4^xii	120.47 (3)	Ti1^xvi—O8—Sr^xiii	94.34 (8)
O8—Ti2—Ti4^xiii	91.86 (7)	Li^xiii—O8—Sr^xiii	87.3 (2)

Symmetry codes: (i) −x+1/2, y+1/2, z−1/2; (ii) −x+1/2, −y, z−1/2; (iii) x, −y+1/2, z−1; (iv) x, y, z−1; (v) x−1/2, y, −z+1/2; (vi) −x+1/2, −y+1, z−1/2; (vii) x−1/2, −y+1/2, −z+1/2; (viii) −x, −y, −z+1; (ix) −x, −y+1, −z+1; (x) x−1/2, y, −z+3/2; (xi) x−1/2, −y+1/2, −z+3/2; (xii) −x+1/2, y+1/2, z+1/2; (xiii) −x+1/2, −y, z+1/2; (xiv) x, −y+1/2, z; (xv) x, y, z+1; (xvi) x+1/2, y, −z+3/2; (xvii) −x+1/2, −y+1, z+1/2; (xviii) x, −y−1/2, z; (xix) −x, y+1/2, −z+1; (xx) x+1/2, y, −z+1/2.

(cr4d)

Crystal data

CrLiO11SrTi4	Dx = 4.343 Mg m^−3
Mr = 514.16	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pnma	Cell parameters from 41 reflections
a = 13.798 (2) Å	θ = 1.0–24.7°
b = 5.763 (1) Å	µ = 11.75 mm^−1
c = 9.890 (2) Å	T = 293 K
V = 786.4 (2) Å^3	Platelet, dark green
Z = 4	0.05 × 0.04 × 0.01 mm
F(000) = 876

Data collection

Four circle diffractometer	957 reflections with I > 2σ(I)
phi and ω scans	Rint = 0.047
Absorption correction: multi-scan ?	θmax = 30.0°, θmin = 3.0°
Tmin = 0.55, Tmax = 0.89	h = −17→19
6546 measured reflections	k = −7→8
1243 independent reflections	l = −13→13

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.P)^2 + 8.8912P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.04	(Δ/σ)max < 0.001
wR(F^2) = 0.073	Δρmax = 0.76 e Å^−3
S = 1.18	Δρmin = −0.74 e Å^−3
1243 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
98 parameters	Extinction coefficient: 0.0007 (2)

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	Occ. (<1)
Sr	0.09449 (5)	0.25	0.10285 (7)	0.01298 (18)
Ti1	0.00081 (9)	0.25	0.77065 (13)	0.0073 (3)
Ti2	0.33159 (9)	0.25	0.89090 (13)	0.0084 (3)
Ti3	0.33432 (9)	0.25	0.42923 (13)	0.0072 (3)
Ti4	0.17188 (6)	0.00081 (14)	0.66285 (8)	0.00692 (18)	0.5
Cr4	0.17188 (6)	0.00081 (14)	0.66285 (8)	0.00692 (18)	0.5
Li	0.0401 (9)	0.25	0.4219 (13)	0.014 (3)
O1	0.0870 (3)	0.25	0.6042 (5)	0.0066 (9)
O2	0.2451 (3)	0.25	0.7442 (5)	0.0069 (9)
O3	0.2601 (3)	0.25	0.2539 (5)	0.0067 (9)
O4	0.3979 (3)	0.25	0.0704 (5)	0.0055 (9)
O5	0.4346 (3)	0.25	0.5607 (5)	0.0095 (10)
O6	0.2442 (2)	0.0014 (6)	1.0005 (3)	0.0073 (6)
O7	0.4142 (2)	0.0061 (6)	0.3270 (3)	0.0071 (6)
O8	0.4144 (2)	0.0280 (6)	0.8155 (3)	0.0072 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sr	0.0119 (3)	0.0122 (3)	0.0148 (4)	0	0.0006 (3)	0
Ti1	0.0063 (5)	0.0076 (5)	0.0080 (6)	0	0.0009 (5)	0
Ti2	0.0071 (5)	0.0107 (6)	0.0074 (6)	0	−0.0011 (5)	0
Ti3	0.0073 (6)	0.0075 (6)	0.0069 (6)	0	−0.0009 (5)	0
Ti4	0.0070 (3)	0.0058 (3)	0.0080 (4)	0.0006 (3)	−0.0008 (3)	0.0002 (3)
Cr4	0.0070 (3)	0.0058 (3)	0.0080 (4)	0.0006 (3)	−0.0008 (3)	0.0002 (3)
Li	0.019 (6)	0.013 (6)	0.009 (6)	0	−0.008 (5)	0
O1	0.007 (2)	0.005 (2)	0.008 (2)	0	−0.0015 (18)	0
O2	0.006 (2)	0.008 (2)	0.007 (2)	0	−0.0013 (18)	0
O3	0.006 (2)	0.004 (2)	0.010 (2)	0	0.0008 (18)	0
O4	0.002 (2)	0.005 (2)	0.009 (2)	0	0.0010 (18)	0
O5	0.009 (2)	0.011 (2)	0.008 (2)	0	−0.0001 (19)	0
O6	0.0080 (14)	0.0069 (15)	0.0069 (16)	−0.0020 (13)	−0.0011 (13)	0.0003 (13)
O7	0.0067 (14)	0.0074 (15)	0.0072 (16)	0.0010 (13)	−0.0002 (13)	−0.0014 (13)
O8	0.0057 (14)	0.0069 (15)	0.0090 (16)	0.0008 (12)	0.0001 (12)	−0.0004 (13)

Geometric parameters (Å, º)

Sr—O8^i	2.647 (3)	Ti3—Cr4^i	3.0061 (14)
Sr—O8^ii	2.647 (3)	Ti3—Ti4^i	3.0061 (14)
Sr—O6^iii	2.709 (3)	Ti4—O2	1.932 (3)
Sr—O6^iv	2.709 (3)	Ti4—O1	1.941 (3)
Sr—O3	2.730 (5)	Ti4—O3^xiii	1.944 (3)
Sr—O5^v	2.736 (5)	Ti4—O4^xiii	1.962 (3)
Sr—O5^ii	2.9390 (11)	Ti4—O6^ii	1.980 (3)
Sr—O5^vi	2.9390 (11)	Ti4—O7^xiii	2.011 (3)
Sr—O7^v	2.941 (3)	Ti4—Cr4^xiv	2.8722 (17)
Sr—O7^vii	2.941 (3)	Ti4—Ti4^xiv	2.8722 (17)
Sr—O7^ii	3.105 (3)	Ti4—Cr4^xvii	2.8908 (17)
Sr—O7^i	3.105 (3)	Ti4—Ti4^xvii	2.8908 (17)
Sr—Li	3.244 (13)	Li—O1	1.916 (13)
Sr—Ti1^viii	3.4055 (9)	Li—O4^v	1.964 (14)
Sr—Ti1^ix	3.4055 (9)	Li—O8^ii	2.017 (9)
Ti1—O5^x	1.902 (5)	Li—O8^i	2.017 (9)
Ti1—O8^x	1.946 (3)	Li—Ti4^xiv	3.324 (11)
Ti1—O8^xi	1.946 (3)	Li—Ti4^viii	3.368 (11)
Ti1—O7^xii	1.966 (3)	Li—Ti4^xviii	3.368 (11)
Ti1—O7^xiii	1.966 (3)	Li—Ti2^vi	3.396 (7)
Ti1—O1	2.031 (5)	O1—Ti4^xiv	1.941 (3)
Ti1—Ti2^x	2.8293 (18)	O2—Ti4^xiv	1.932 (3)
Ti1—Cr4^xiv	2.9614 (14)	O3—Ti4^ii	1.944 (3)
Ti1—Ti4^xiv	2.9614 (14)	O3—Ti4^i	1.944 (3)
Ti2—O8^xiv	1.870 (3)	O4—Ti4^ii	1.962 (3)
Ti2—O8	1.870 (3)	O4—Ti4^i	1.962 (3)
Ti2—O2	1.878 (5)	O4—Li^xix	1.964 (14)
Ti2—O4^xv	1.997 (5)	O4—Ti2^iv	1.997 (5)
Ti2—O6	2.164 (3)	O5—Ti1^xvi	1.902 (5)
Ti2—O6^xiv	2.164 (3)	O5—Sr^xix	2.736 (5)
Ti2—Ti1^xvi	2.8293 (18)	O5—Sr^xiii	2.9390 (11)
Ti2—Cr4^xii	3.0538 (15)	O5—Sr^xx	2.9390 (11)
Ti2—Ti4^xii	3.0538 (15)	O6—Ti3^xiii	1.941 (3)
Ti2—Cr4^xiii	3.0538 (15)	O6—Ti4^xiii	1.980 (3)
Ti3—O5	1.898 (5)	O6—Sr^xv	2.709 (3)
Ti3—O6^ii	1.941 (3)	O7—Ti1^ii	1.966 (3)
Ti3—O6^i	1.941 (3)	O7—Ti4^ii	2.011 (3)
Ti3—O3	2.014 (5)	O7—Sr^xix	2.941 (3)
Ti3—O7^xiv	2.052 (3)	O7—Sr^xiii	3.105 (3)
Ti3—O7	2.052 (3)	O8—Ti1^xvi	1.946 (3)
Ti3—Cr4^ii	3.0061 (14)	O8—Li^xiii	2.017 (9)
Ti3—Ti4^ii	3.0061 (14)	O8—Sr^xiii	2.647 (3)
O8^i—Sr—O8^ii	74.51 (14)	O5—Ti3—O6^i	99.07 (14)
O8^i—Sr—O6^iii	90.69 (10)	O6^ii—Ti3—O6^i	96.5 (2)
O8^ii—Sr—O6^iii	130.70 (10)	O5—Ti3—O3	163.8 (2)
O8^i—Sr—O6^iv	130.70 (10)	O6^ii—Ti3—O3	91.68 (14)
O8^ii—Sr—O6^iv	90.69 (10)	O6^i—Ti3—O3	91.68 (14)
O6^iii—Sr—O6^iv	63.84 (14)	O5—Ti3—O7^xiv	86.92 (14)
O8^i—Sr—O3	66.67 (10)	O6^ii—Ti3—O7^xiv	171.69 (15)
O8^ii—Sr—O3	66.67 (10)	O6^i—Ti3—O7^xiv	88.13 (13)
O6^iii—Sr—O3	64.30 (11)	O3—Ti3—O7^xiv	81.29 (13)
O6^iv—Sr—O3	64.30 (11)	O5—Ti3—O7	86.92 (14)
O8^i—Sr—O5^v	115.62 (10)	O6^ii—Ti3—O7	88.13 (13)
O8^ii—Sr—O5^v	115.62 (10)	O6^i—Ti3—O7	171.69 (15)
O6^iii—Sr—O5^v	113.20 (11)	O3—Ti3—O7	81.29 (13)
O6^iv—Sr—O5^v	113.20 (11)	O7^xiv—Ti3—O7	86.43 (19)
O3—Sr—O5^v	176.94 (14)	O5—Ti3—Cr4^ii	128.38 (13)
O8^i—Sr—O5^ii	134.42 (12)	O6^ii—Ti3—Cr4^ii	86.77 (10)
O8^ii—Sr—O5^ii	60.86 (12)	O6^i—Ti3—Cr4^ii	131.40 (11)
O6^iii—Sr—O5^ii	124.71 (12)	O3—Ti3—Cr4^ii	39.73 (9)
O6^iv—Sr—O5^ii	62.14 (12)	O7^xiv—Ti3—Cr4^ii	84.99 (10)
O3—Sr—O5^ii	101.06 (9)	O7—Ti3—Cr4^ii	41.77 (9)
O5^v—Sr—O5^ii	78.82 (9)	O5—Ti3—Ti4^ii	128.38 (13)
O8^i—Sr—O5^vi	60.86 (12)	O6^ii—Ti3—Ti4^ii	86.77 (10)
O8^ii—Sr—O5^vi	134.42 (12)	O6^i—Ti3—Ti4^ii	131.40 (11)
O6^iii—Sr—O5^vi	62.14 (12)	O3—Ti3—Ti4^ii	39.73 (9)
O6^iv—Sr—O5^vi	124.71 (12)	O7^xiv—Ti3—Ti4^ii	84.99 (10)
O3—Sr—O5^vi	101.06 (9)	O7—Ti3—Ti4^ii	41.77 (9)
O5^v—Sr—O5^vi	78.82 (9)	Cr4^ii—Ti3—Ti4^ii	0.00 (4)
O5^ii—Sr—O5^vi	157.29 (19)	O5—Ti3—Cr4^i	128.38 (13)
O8^i—Sr—O7^v	93.59 (10)	O6^ii—Ti3—Cr4^i	131.40 (11)
O8^ii—Sr—O7^v	58.93 (9)	O6^i—Ti3—Cr4^i	86.77 (10)
O6^iii—Sr—O7^v	170.32 (9)	O3—Ti3—Cr4^i	39.73 (9)
O6^iv—Sr—O7^v	118.71 (9)	O7^xiv—Ti3—Cr4^i	41.77 (9)
O3—Sr—O7^v	125.38 (10)	O7—Ti3—Cr4^i	84.99 (10)
O5^v—Sr—O7^v	57.12 (10)	Cr4^ii—Ti3—Cr4^i	57.48 (4)
O5^ii—Sr—O7^v	56.60 (11)	Ti4^ii—Ti3—Cr4^i	57.48 (4)
O5^vi—Sr—O7^v	112.74 (12)	O5—Ti3—Ti4^i	128.38 (13)
O8^i—Sr—O7^vii	58.93 (9)	O6^ii—Ti3—Ti4^i	131.40 (11)
O8^ii—Sr—O7^vii	93.59 (10)	O6^i—Ti3—Ti4^i	86.77 (10)
O6^iii—Sr—O7^vii	118.71 (9)	O3—Ti3—Ti4^i	39.73 (9)
O6^iv—Sr—O7^vii	170.32 (9)	O7^xiv—Ti3—Ti4^i	41.77 (9)
O3—Sr—O7^vii	125.38 (10)	O7—Ti3—Ti4^i	84.99 (10)
O5^v—Sr—O7^vii	57.12 (10)	Cr4^ii—Ti3—Ti4^i	57.48 (4)
O5^ii—Sr—O7^vii	112.74 (12)	Ti4^ii—Ti3—Ti4^i	57.48 (4)
O5^vi—Sr—O7^vii	56.60 (11)	Cr4^i—Ti3—Ti4^i	0.000 (15)
O7^v—Sr—O7^vii	57.10 (13)	O2—Ti4—O1	83.69 (15)
O8^i—Sr—O7^ii	169.87 (9)	O2—Ti4—O3^xiii	96.15 (14)
O8^ii—Sr—O7^ii	114.13 (9)	O1—Ti4—O3^xiii	168.3 (2)
O6^iii—Sr—O7^ii	87.28 (9)	O2—Ti4—O4^xiii	176.6 (2)
O6^iv—Sr—O7^ii	56.61 (9)	O1—Ti4—O4^xiii	96.32 (14)
O3—Sr—O7^ii	120.87 (10)	O3^xiii—Ti4—O4^xiii	84.54 (14)
O5^v—Sr—O7^ii	56.59 (10)	O2—Ti4—O6^ii	92.08 (17)
O5^ii—Sr—O7^ii	53.40 (11)	O1—Ti4—O6^ii	96.63 (18)
O5^vi—Sr—O7^ii	109.64 (11)	O3^xiii—Ti4—O6^ii	95.07 (17)
O7^v—Sr—O7^ii	87.00 (9)	O4^xiii—Ti4—O6^ii	84.52 (17)
O7^vii—Sr—O7^ii	113.71 (6)	O2—Ti4—O7^xiii	89.29 (17)
O8^i—Sr—O7^i	114.13 (9)	O1—Ti4—O7^xiii	84.25 (17)
O8^ii—Sr—O7^i	169.87 (9)	O3^xiii—Ti4—O7^xiii	84.05 (17)
O6^iii—Sr—O7^i	56.61 (9)	O4^xiii—Ti4—O7^xiii	94.11 (17)
O6^iv—Sr—O7^i	87.28 (9)	O6^ii—Ti4—O7^xiii	178.44 (14)
O3—Sr—O7^i	120.87 (10)	O2—Ti4—Cr4^xiv	41.98 (10)
O5^v—Sr—O7^i	56.59 (10)	O1—Ti4—Cr4^xiv	42.29 (10)
O5^ii—Sr—O7^i	109.64 (11)	O3^xiii—Ti4—Cr4^xiv	138.02 (10)
O5^vi—Sr—O7^i	53.40 (11)	O4^xiii—Ti4—Cr4^xiv	137.44 (10)
O7^v—Sr—O7^i	113.71 (6)	O6^ii—Ti4—Cr4^xiv	90.37 (10)
O7^vii—Sr—O7^i	87.00 (9)	O7^xiii—Ti4—Cr4^xiv	91.14 (10)
O7^ii—Sr—O7^i	56.78 (12)	O2—Ti4—Ti4^xiv	41.98 (10)
O8^i—Sr—Li	38.39 (9)	O1—Ti4—Ti4^xiv	42.29 (10)
O8^ii—Sr—Li	38.39 (9)	O3^xiii—Ti4—Ti4^xiv	138.02 (10)
O6^iii—Sr—Li	122.67 (19)	O4^xiii—Ti4—Ti4^xiv	137.44 (10)
O6^iv—Sr—Li	122.67 (19)	O6^ii—Ti4—Ti4^xiv	90.37 (10)
O3—Sr—Li	70.2 (2)	O7^xiii—Ti4—Ti4^xiv	91.14 (10)
O5^v—Sr—Li	112.9 (2)	Cr4^xiv—Ti4—Ti4^xiv	0.00 (4)
O5^ii—Sr—Li	96.11 (10)	O2—Ti4—Cr4^xvii	138.02 (10)
O5^vi—Sr—Li	96.11 (10)	O1—Ti4—Cr4^xvii	137.71 (10)
O7^v—Sr—Li	64.8 (2)	O3^xiii—Ti4—Cr4^xvii	41.98 (10)
O7^vii—Sr—Li	64.8 (2)	O4^xiii—Ti4—Cr4^xvii	42.56 (10)
O7^ii—Sr—Li	147.79 (12)	O6^ii—Ti4—Cr4^xvii	89.63 (10)
O7^i—Sr—Li	147.79 (12)	O7^xiii—Ti4—Cr4^xvii	88.86 (10)
O8^i—Sr—Ti1^viii	101.68 (8)	Cr4^xiv—Ti4—Cr4^xvii	180.00 (6)
O8^ii—Sr—Ti1^viii	34.72 (7)	Ti4^xiv—Ti4—Cr4^xvii	180.00 (6)
O6^iii—Sr—Ti1^viii	151.51 (7)	O2—Ti4—Ti4^xvii	138.02 (10)
O6^iv—Sr—Ti1^viii	89.09 (7)	O1—Ti4—Ti4^xvii	137.71 (10)
O3—Sr—Ti1^viii	97.02 (6)	O3^xiii—Ti4—Ti4^xvii	41.98 (10)
O5^v—Sr—Ti1^viii	84.59 (6)	O4^xiii—Ti4—Ti4^xvii	42.56 (10)
O5^ii—Sr—Ti1^viii	33.89 (10)	O6^ii—Ti4—Ti4^xvii	89.63 (10)
O5^vi—Sr—Ti1^viii	146.00 (10)	O7^xiii—Ti4—Ti4^xvii	88.86 (10)
O7^v—Sr—Ti1^viii	35.13 (7)	Cr4^xiv—Ti4—Ti4^xvii	180.00 (6)
O7^vii—Sr—Ti1^viii	89.48 (7)	Ti4^xiv—Ti4—Ti4^xvii	180.00 (6)
O7^ii—Sr—Ti1^viii	84.59 (6)	Cr4^xvii—Ti4—Ti4^xvii	0.00 (4)
O7^i—Sr—Ti1^viii	135.26 (7)	O1—Li—O4^v	107.6 (7)
Li—Sr—Ti1^viii	63.46 (8)	O1—Li—O8^ii	112.7 (4)
O8^i—Sr—Ti1^ix	34.72 (7)	O4^v—Li—O8^ii	109.4 (4)
O8^ii—Sr—Ti1^ix	101.68 (8)	O1—Li—O8^i	112.7 (4)
O6^iii—Sr—Ti1^ix	89.09 (7)	O4^v—Li—O8^i	109.4 (4)
O6^iv—Sr—Ti1^ix	151.51 (7)	O8^ii—Li—O8^i	105.2 (6)
O3—Sr—Ti1^ix	97.02 (6)	O1—Li—Sr	146.8 (6)
O5^v—Sr—Ti1^ix	84.59 (6)	O4^v—Li—Sr	105.6 (5)
O5^ii—Sr—Ti1^ix	146.00 (10)	O8^ii—Li—Sr	54.6 (3)
O5^vi—Sr—Ti1^ix	33.89 (10)	O8^i—Li—Sr	54.6 (3)
O7^v—Sr—Ti1^ix	89.48 (7)	O1—Li—Ti4^xiv	30.72 (16)
O7^vii—Sr—Ti1^ix	35.13 (7)	O4^v—Li—Ti4^xiv	121.3 (5)
O7^ii—Sr—Ti1^ix	135.26 (7)	O8^ii—Li—Ti4^xiv	123.1 (5)
O7^i—Sr—Ti1^ix	84.59 (6)	O8^i—Li—Ti4^xiv	82.0 (3)
Li—Sr—Ti1^ix	63.46 (8)	Sr—Li—Ti4^xiv	124.8 (4)
Ti1^viii—Sr—Ti1^ix	115.59 (4)	O1—Li—Ti4	30.72 (16)
O5^x—Ti1—O8^x	95.14 (15)	O4^v—Li—Ti4	121.3 (5)
O5^x—Ti1—O8^xi	95.14 (15)	O8^ii—Li—Ti4	82.0 (3)
O8^x—Ti1—O8^xi	82.23 (19)	O8^i—Li—Ti4	123.1 (5)
O5^x—Ti1—O7^xii	92.19 (14)	Sr—Li—Ti4	124.8 (4)
O8^x—Ti1—O7^xii	169.59 (15)	Ti4^xiv—Li—Ti4	51.20 (18)
O8^xi—Ti1—O7^xii	89.78 (13)	O1—Li—Ti4^viii	121.9 (5)
O5^x—Ti1—O7^xiii	92.19 (14)	O4^v—Li—Ti4^viii	30.90 (16)
O8^x—Ti1—O7^xiii	89.78 (13)	O8^ii—Li—Ti4^viii	78.5 (3)
O8^xi—Ti1—O7^xiii	169.59 (15)	O8^i—Li—Ti4^viii	118.8 (5)
O7^xii—Ti1—O7^xiii	97.3 (2)	Sr—Li—Ti4^viii	87.6 (3)
O5^x—Ti1—O1	172.9 (2)	Ti4^xiv—Li—Ti4^viii	147.0 (4)
O8^x—Ti1—O1	90.24 (14)	Ti4—Li—Ti4^viii	117.9 (2)
O8^xi—Ti1—O1	90.24 (14)	O1—Li—Ti4^xviii	121.9 (5)
O7^xii—Ti1—O1	83.11 (13)	O4^v—Li—Ti4^xviii	30.90 (16)
O7^xiii—Ti1—O1	83.11 (13)	O8^ii—Li—Ti4^xviii	118.8 (5)
O5^x—Ti1—Ti2^x	95.67 (15)	O8^i—Li—Ti4^xviii	78.5 (3)
O8^x—Ti1—Ti2^x	41.13 (10)	Sr—Li—Ti4^xviii	87.6 (3)
O8^xi—Ti1—Ti2^x	41.13 (10)	Ti4^xiv—Li—Ti4^xviii	117.9 (2)
O7^xii—Ti1—Ti2^x	130.72 (10)	Ti4—Li—Ti4^xviii	147.0 (4)
O7^xiii—Ti1—Ti2^x	130.72 (10)	Ti4^viii—Li—Ti4^xviii	50.83 (19)
O1—Ti1—Ti2^x	91.48 (14)	O1—Li—Ti2^vi	84.8 (3)
O5^x—Ti1—Cr4^xiv	134.32 (12)	O4^v—Li—Ti2^vi	121.64 (19)
O8^x—Ti1—Cr4^xiv	130.52 (11)	O8^ii—Li—Ti2^vi	117.7 (5)
O8^xi—Ti1—Cr4^xiv	90.69 (10)	O8^i—Li—Ti2^vi	27.94 (17)
O7^xii—Ti1—Cr4^xiv	42.47 (9)	Sr—Li—Ti2^vi	78.0 (2)
O7^xiii—Ti1—Cr4^xiv	89.46 (10)	Ti4^xiv—Li—Ti2^vi	54.04 (13)
O1—Ti1—Cr4^xiv	40.65 (9)	Ti4—Li—Ti2^vi	98.4 (3)
Ti2^x—Ti1—Cr4^xiv	117.03 (5)	Ti4^viii—Li—Ti2^vi	142.6 (3)
O5^x—Ti1—Ti4^xiv	134.32 (12)	Ti4^xviii—Li—Ti2^vi	93.79 (11)
O8^x—Ti1—Ti4^xiv	130.52 (11)	Li—O1—Ti4^xiv	119.0 (3)
O8^xi—Ti1—Ti4^xiv	90.69 (10)	Li—O1—Ti4	119.0 (3)
O7^xii—Ti1—Ti4^xiv	42.47 (9)	Ti4^xiv—O1—Ti4	95.4 (2)
O7^xiii—Ti1—Ti4^xiv	89.46 (10)	Li—O1—Ti1	124.4 (5)
O1—Ti1—Ti4^xiv	40.65 (9)	Ti4^xiv—O1—Ti1	96.38 (17)
Ti2^x—Ti1—Ti4^xiv	117.03 (5)	Ti4—O1—Ti1	96.38 (17)
Cr4^xiv—Ti1—Ti4^xiv	0.00 (3)	Ti2—O2—Ti4	130.85 (12)
O8^xiv—Ti2—O8	86.3 (2)	Ti2—O2—Ti4^xiv	130.85 (12)
O8^xiv—Ti2—O2	94.59 (15)	Ti4—O2—Ti4^xiv	96.0 (2)
O8—Ti2—O2	94.59 (15)	Ti4^ii—O3—Ti4^i	96.0 (2)
O8^xiv—Ti2—O4^xv	94.29 (14)	Ti4^ii—O3—Ti3	98.83 (17)
O8—Ti2—O4^xv	94.29 (14)	Ti4^i—O3—Ti3	98.83 (17)
O2—Ti2—O4^xv	167.8 (2)	Ti4^ii—O3—Sr	98.65 (16)
O8^xiv—Ti2—O6	173.26 (14)	Ti4^i—O3—Sr	98.65 (16)
O8—Ti2—O6	95.02 (14)	Ti3—O3—Sr	153.7 (2)
O2—Ti2—O6	91.89 (14)	Ti4^ii—O4—Ti4^i	94.9 (2)
O4^xv—Ti2—O6	79.04 (13)	Ti4^ii—O4—Li^xix	118.2 (3)
O8^xiv—Ti2—O6^xiv	95.02 (13)	Ti4^i—O4—Li^xix	118.2 (3)
O8—Ti2—O6^xiv	173.26 (14)	Ti4^ii—O4—Ti2^iv	100.93 (17)
O2—Ti2—O6^xiv	91.89 (14)	Ti4^i—O4—Ti2^iv	100.93 (17)
O4^xv—Ti2—O6^xiv	79.04 (13)	Li^xix—O4—Ti2^iv	119.5 (4)
O6—Ti2—O6^xiv	82.90 (18)	Ti3—O5—Ti1^xvi	161.9 (3)
O8^xiv—Ti2—Ti1^xvi	43.18 (10)	Ti3—O5—Sr^xix	100.5 (2)
O8—Ti2—Ti1^xvi	43.18 (10)	Ti1^xvi—O5—Sr^xix	97.52 (19)
O2—Ti2—Ti1^xvi	95.05 (16)	Ti3—O5—Sr^xiii	89.87 (10)
O4^xv—Ti2—Ti1^xvi	97.13 (14)	Ti1^xvi—O5—Sr^xiii	86.62 (10)
O6—Ti2—Ti1^xvi	137.99 (9)	Sr^xix—O5—Sr^xiii	101.18 (9)
O6^xiv—Ti2—Ti1^xvi	137.99 (9)	Ti3—O5—Sr^xx	89.87 (10)
O8^xiv—Ti2—Cr4^xii	92.12 (10)	Ti1^xvi—O5—Sr^xx	86.62 (10)
O8—Ti2—Cr4^xii	133.20 (11)	Sr^xix—O5—Sr^xx	101.18 (9)
O2—Ti2—Cr4^xii	132.09 (12)	Sr^xiii—O5—Sr^xx	157.29 (19)
O4^xv—Ti2—Cr4^xii	39.12 (9)	Ti3^xiii—O6—Ti4^xiii	128.03 (18)
O6—Ti2—Cr4^xii	82.14 (10)	Ti3^xiii—O6—Ti2	128.53 (17)
O6^xiv—Ti2—Cr4^xii	40.24 (9)	Ti4^xiii—O6—Ti2	94.84 (14)
Ti1^xvi—Ti2—Cr4^xii	120.69 (5)	Ti3^xiii—O6—Sr^xv	96.04 (13)
O8^xiv—Ti2—Ti4^xii	92.12 (10)	Ti4^xiii—O6—Sr^xv	98.43 (13)
O8—Ti2—Ti4^xii	133.20 (11)	Ti2—O6—Sr^xv	105.19 (13)
O2—Ti2—Ti4^xii	132.09 (12)	Ti1^ii—O7—Ti4^ii	96.24 (14)
O4^xv—Ti2—Ti4^xii	39.12 (9)	Ti1^ii—O7—Ti3	166.92 (19)
O6—Ti2—Ti4^xii	82.14 (10)	Ti4^ii—O7—Ti3	95.42 (14)
O6^xiv—Ti2—Ti4^xii	40.24 (9)	Ti1^ii—O7—Sr^xix	85.46 (11)
Ti1^xvi—Ti2—Ti4^xii	120.69 (5)	Ti4^ii—O7—Sr^xix	134.39 (15)
Cr4^xii—Ti2—Ti4^xii	0.000 (15)	Ti3—O7—Sr^xix	90.61 (12)
O8^xiv—Ti2—Cr4^xiii	133.20 (11)	Ti1^ii—O7—Sr^xiii	85.12 (11)
O8—Ti2—Cr4^xiii	92.12 (10)	Ti4^ii—O7—Sr^xiii	132.61 (14)
O2—Ti2—Cr4^xiii	132.09 (12)	Ti3—O7—Sr^xiii	82.63 (10)
O4^xv—Ti2—Cr4^xiii	39.12 (9)	Sr^xix—O7—Sr^xiii	93.00 (9)
O6—Ti2—Cr4^xiii	40.24 (9)	Ti2—O8—Ti1^xvi	95.70 (15)
O6^xiv—Ti2—Cr4^xiii	82.14 (10)	Ti2—O8—Li^xiii	121.7 (4)
Ti1^xvi—Ti2—Cr4^xiii	120.69 (5)	Ti1^xvi—O8—Li^xiii	124.0 (4)
Cr4^xii—Ti2—Cr4^xiii	56.50 (4)	Ti2—O8—Sr^xiii	134.64 (15)
Ti4^xii—Ti2—Cr4^xiii	56.50 (4)	Ti1^xvi—O8—Sr^xiii	94.49 (12)
O5—Ti3—O6^ii	99.07 (14)	Li^xiii—O8—Sr^xiii	87.0 (3)

Symmetry codes: (i) −x+1/2, y+1/2, z−1/2; (ii) −x+1/2, −y, z−1/2; (iii) x, −y+1/2, z−1; (iv) x, y, z−1; (v) x−1/2, y, −z+1/2; (vi) −x+1/2, −y+1, z−1/2; (vii) x−1/2, −y+1/2, −z+1/2; (viii) −x, −y, −z+1; (ix) −x, −y+1, −z+1; (x) x−1/2, y, −z+3/2; (xi) x−1/2, −y+1/2, −z+3/2; (xii) −x+1/2, y+1/2, z+1/2; (xiii) −x+1/2, −y, z+1/2; (xiv) x, −y+1/2, z; (xv) x, y, z+1; (xvi) x+1/2, y, −z+3/2; (xvii) x, −y−1/2, z; (xviii) −x, y+1/2, −z+1; (xix) x+1/2, y, −z+1/2; (xx) −x+1/2, −y+1, z+1/2.

(srfei)

Crystal data

FeLiO11SrTi4	Z = 16
Mr = 518.01	F(000) = 3536
Othorhombic, Pbcn	Dx = 4.34 Mg m^−3
a = 13.875 (6) Å	Mo Kα radiation, λ = 0.71073 Å
b = 11.492 (3) Å	Cell parameters from 1588 reflections
c = 19.887 (3) Å	θ = 1.0–26.6°
α = 90°	µ = 12.14 mm^−1
β = 90°	T = 293 K
γ = 90°	Block, orange
V = 3171.1 (17) Å^3	0.08 × 0.06 × 0.06 mm

Data collection

Four-circle diffractometer	4841 reflections with I > 2σ(I)
phi and ω scans	Rint = 0.050
Absorption correction: multi-scan ?	θmax = 35.0°, θmin = 2.1°
Tmin = 0.38, Tmax = 0.48	h = −22→22
51725 measured reflections	k = −18→18
6973 independent reflections	l = −32→32

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0282P)^2 + 14.933P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.053	(Δ/σ)max = 0.002
wR(F^2) = 0.085	Δρmax = 1.54 e Å^−3
S = 1.21	Δρmin = −1.37 e Å^−3
6973 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
327 parameters	Extinction coefficient: 0.00057 (7)

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	Occ. (<1)
O1	0.06437 (18)	0.3885 (2)	0.44954 (12)	0.0096 (5)
O2	0.07046 (18)	0.3645 (2)	0.20102 (13)	0.0098 (5)
O3	0.0808 (2)	0.1265 (2)	0.20612 (13)	0.0129 (5)
O4	0.08405 (19)	0.0003 (2)	0.32871 (12)	0.0085 (5)
O5	0.08513 (18)	0.1441 (2)	0.46078 (12)	0.0080 (5)
O6	0.08619 (19)	0.2429 (2)	0.08245 (12)	0.0091 (5)
O7	0.23847 (18)	0.1292 (2)	0.12508 (11)	0.0069 (4)
O8	0.24439 (18)	0.3759 (2)	0.12290 (11)	0.0084 (5)
O9	0.24475 (18)	0.3673 (2)	0.37491 (11)	0.0074 (4)
O10	0.24530 (18)	0.25044 (19)	0.25012 (12)	0.0064 (5)
O11	0.24820 (17)	0.00102 (19)	0.24769 (12)	0.0071 (5)
O12	0.25497 (19)	0.25188 (19)	0.49685 (12)	0.0077 (5)
O13	0.25639 (19)	0.0032 (2)	0.00015 (12)	0.0082 (5)
O14	0.26292 (18)	0.1166 (2)	0.37332 (11)	0.0065 (4)
O15	0.39781 (18)	0.4902 (2)	0.07817 (12)	0.0067 (4)
O16	0.39795 (18)	0.2543 (2)	0.32870 (12)	0.0067 (5)
O17	0.41066 (18)	0.3935 (2)	0.21458 (12)	0.0075 (4)
O18	0.41126 (19)	0.0014 (2)	0.32583 (12)	0.0082 (5)
O19	0.41337 (17)	0.3547 (2)	0.46363 (12)	0.0071 (4)
O20	0.41337 (18)	0.2441 (2)	0.07171 (13)	0.0073 (5)
O21	0.41744 (18)	0.1084 (2)	0.21053 (12)	0.0074 (4)
O22	0.41731 (18)	0.1247 (2)	0.45395 (12)	0.0081 (5)
Li1	0.4598 (5)	0.2563 (6)	0.1683 (3)	0.0136 (13)
Li2	0.4609 (4)	0.4955 (5)	0.4219 (3)	0.0034 (10)
Ti1	0	0.01481 (8)	0.25	0.01061 (17)	0.8
Fe1	0	0.01481 (8)	0.25	0.01061 (17)	0.2
Ti2	0	0.48032 (8)	0.25	0.00940 (16)	0.8
Fe2	0	0.48032 (8)	0.25	0.00940 (16)	0.2
Ti3	0.00093 (5)	0.26532 (6)	0.49256 (3)	0.00945 (12)	0.8
Fe3	0.00093 (5)	0.26532 (6)	0.49256 (3)	0.00945 (12)	0.2
Ti4	0.16455 (5)	0.26130 (5)	0.17010 (3)	0.00803 (12)	0.8
Fe4	0.16455 (5)	0.26130 (5)	0.17010 (3)	0.00803 (12)	0.2
Ti5	0.16513 (4)	0.48778 (5)	0.41834 (3)	0.00609 (11)	0.8
Fe5	0.16513 (4)	0.48778 (5)	0.41834 (3)	0.00609 (11)	0.2
Ti6	0.17391 (4)	0.12228 (6)	0.03893 (3)	0.00863 (12)	0.8
Fe6	0.17391 (4)	0.12228 (6)	0.03893 (3)	0.00863 (12)	0.2
Ti7	0.32550 (5)	0.49506 (6)	0.16478 (3)	0.01168 (14)	0.8
Fe7	0.32550 (5)	0.49506 (6)	0.16478 (3)	0.01168 (14)	0.2
Ti8	0.32731 (5)	0.39126 (6)	0.29695 (3)	0.00946 (12)	0.8
Fe8	0.32731 (5)	0.39126 (6)	0.29695 (3)	0.00946 (12)	0.2
Ti9	0.33018 (5)	0.24059 (6)	0.41531 (3)	0.00892 (13)	0.8
Fe9	0.33018 (5)	0.24059 (6)	0.41531 (3)	0.00892 (13)	0.2
Ti10	0.33157 (4)	0.35533 (6)	0.03626 (3)	0.01031 (13)	0.8
Fe10	0.33157 (4)	0.35533 (6)	0.03626 (3)	0.01031 (13)	0.2
Ti11	0.33165 (4)	0.12151 (5)	0.27913 (3)	0.00860 (12)	0.8
Fe11	0.33165 (4)	0.12151 (5)	0.27913 (3)	0.00860 (12)	0.2
Sr2	0.40742 (3)	0.01451 (3)	0.089956 (18)	0.01204 (9)
Sr1	0.09599 (3)	0.23260 (3)	0.337918 (18)	0.01299 (9)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O1	0.0067 (11)	0.0090 (11)	0.0132 (12)	−0.0015 (9)	0.0003 (9)	0.0036 (9)
O2	0.0071 (11)	0.0105 (12)	0.0118 (11)	0.0011 (9)	0.0006 (9)	−0.0028 (9)
O3	0.0117 (13)	0.0154 (14)	0.0116 (12)	−0.0043 (10)	−0.0010 (9)	0.0048 (10)
O4	0.0083 (12)	0.0115 (12)	0.0059 (10)	0.0015 (9)	−0.0014 (8)	−0.0002 (8)
O5	0.0072 (11)	0.0090 (11)	0.0080 (10)	0.0020 (9)	−0.0004 (8)	−0.0002 (9)
O6	0.0077 (12)	0.0121 (12)	0.0075 (11)	0.0009 (9)	−0.0008 (8)	−0.0008 (9)
O7	0.0053 (10)	0.0089 (11)	0.0063 (10)	−0.0009 (9)	0.0004 (8)	−0.0004 (8)
O8	0.0072 (11)	0.0102 (12)	0.0077 (10)	0.0005 (9)	0.0002 (8)	0.0023 (8)
O9	0.0092 (12)	0.0064 (11)	0.0065 (10)	0.0036 (9)	0.0008 (8)	0.0004 (8)
O10	0.0065 (12)	0.0060 (11)	0.0068 (10)	−0.0006 (8)	−0.0006 (8)	−0.0002 (8)
O11	0.0054 (12)	0.0081 (12)	0.0079 (10)	−0.0011 (9)	−0.0006 (8)	0.0002 (8)
O12	0.0082 (12)	0.0073 (12)	0.0075 (10)	−0.0022 (9)	0.0009 (8)	−0.0009 (8)
O13	0.0104 (12)	0.0086 (12)	0.0056 (10)	0.0010 (9)	0.0013 (8)	−0.0002 (8)
O14	0.0069 (10)	0.0057 (11)	0.0068 (10)	−0.0011 (9)	−0.0002 (8)	0.0005 (8)
O15	0.0042 (11)	0.0066 (11)	0.0092 (11)	−0.0002 (8)	0.0013 (8)	0.0002 (8)
O16	0.0067 (11)	0.0053 (11)	0.0082 (10)	−0.0002 (8)	0.0012 (8)	0.0007 (8)
O17	0.0083 (11)	0.0071 (11)	0.0071 (10)	0.0004 (9)	−0.0005 (8)	−0.0007 (8)
O18	0.0068 (12)	0.0099 (12)	0.0080 (10)	0.0012 (8)	0.0009 (8)	0.0007 (8)
O19	0.0061 (11)	0.0075 (11)	0.0077 (10)	−0.0011 (9)	0.0013 (8)	−0.0010 (8)
O20	0.0048 (11)	0.0092 (11)	0.0077 (10)	0.0014 (8)	0.0009 (8)	0.0008 (8)
O21	0.0061 (11)	0.0097 (11)	0.0064 (10)	0.0005 (9)	0.0011 (8)	0.0017 (9)
O22	0.0060 (11)	0.0084 (11)	0.0099 (11)	−0.0001 (9)	0.0004 (8)	−0.0002 (8)
Li1	0.017 (4)	0.009 (3)	0.016 (3)	0.001 (2)	0.001 (3)	0.000 (2)
Li2	0.003 (3)	0.001 (2)	0.005 (2)	−0.0027 (19)	0.0030 (19)	−0.0004 (18)
Ti1	0.0097 (4)	0.0087 (4)	0.0134 (4)	0	−0.0001 (3)	0
Fe1	0.0097 (4)	0.0087 (4)	0.0134 (4)	0	−0.0001 (3)	0
Ti2	0.0095 (4)	0.0099 (4)	0.0089 (4)	0	−0.0008 (3)	0
Fe2	0.0095 (4)	0.0099 (4)	0.0089 (4)	0	−0.0008 (3)	0
Ti3	0.0096 (3)	0.0097 (3)	0.0091 (3)	−0.0011 (2)	−0.0001 (2)	0.0007 (2)
Fe3	0.0096 (3)	0.0097 (3)	0.0091 (3)	−0.0011 (2)	−0.0001 (2)	0.0007 (2)
Ti4	0.0090 (3)	0.0080 (3)	0.0071 (2)	0.0012 (2)	−0.0002 (2)	−0.00090 (19)
Fe4	0.0090 (3)	0.0080 (3)	0.0071 (2)	0.0012 (2)	−0.0002 (2)	−0.00090 (19)
Ti5	0.0063 (3)	0.0063 (2)	0.0057 (2)	−0.00095 (19)	0.00107 (18)	0.00041 (19)
Fe5	0.0063 (3)	0.0063 (2)	0.0057 (2)	−0.00095 (19)	0.00107 (18)	0.00041 (19)
Ti6	0.0094 (3)	0.0082 (3)	0.0083 (2)	−0.0002 (2)	−0.00113 (19)	0.0001 (2)
Fe6	0.0094 (3)	0.0082 (3)	0.0083 (2)	−0.0002 (2)	−0.00113 (19)	0.0001 (2)
Ti7	0.0135 (3)	0.0118 (3)	0.0097 (3)	0.0013 (2)	−0.0002 (2)	0.0006 (2)
Fe7	0.0135 (3)	0.0118 (3)	0.0097 (3)	0.0013 (2)	−0.0002 (2)	0.0006 (2)
Ti8	0.0092 (3)	0.0092 (3)	0.0100 (3)	0.0015 (2)	0.0011 (2)	0.0017 (2)
Fe8	0.0092 (3)	0.0092 (3)	0.0100 (3)	0.0015 (2)	0.0011 (2)	0.0017 (2)
Ti9	0.0104 (3)	0.0090 (3)	0.0074 (3)	−0.0007 (2)	0.0000 (2)	−0.0004 (2)
Fe9	0.0104 (3)	0.0090 (3)	0.0074 (3)	−0.0007 (2)	0.0000 (2)	−0.0004 (2)
Ti10	0.0098 (3)	0.0092 (3)	0.0119 (3)	−0.0008 (2)	−0.0006 (2)	−0.0023 (2)
Fe10	0.0098 (3)	0.0092 (3)	0.0119 (3)	−0.0008 (2)	−0.0006 (2)	−0.0023 (2)
Ti11	0.0091 (3)	0.0089 (3)	0.0078 (2)	−0.0004 (2)	0.00020 (19)	−0.0007 (2)
Fe11	0.0091 (3)	0.0089 (3)	0.0078 (2)	−0.0004 (2)	0.00020 (19)	−0.0007 (2)
Sr2	0.01218 (18)	0.01196 (17)	0.01197 (16)	−0.00063 (12)	0.00022 (12)	0.00090 (12)
Sr1	0.01314 (18)	0.01443 (17)	0.01140 (16)	−0.00246 (13)	0.00060 (12)	−0.00117 (12)

Geometric parameters (Å, º)

O1—Ti3	1.874 (3)	Li1—Ti11	3.228 (7)
O1—Ti5	1.908 (3)	Li1—Sr2	3.267 (7)
O1—Sr2^i	2.731 (3)	Li1—Ti7	3.317 (7)
O1—Sr1	2.886 (3)	Li1—Ti9^vii	3.360 (7)
O1—Sr2^ii	3.032 (3)	Li1—Ti10	3.369 (7)
O2—Ti4	1.868 (3)	Li1—Ti8^vii	3.408 (7)
O2—Ti2	1.918 (3)	Li2—O4^iii	1.956 (6)
O2—Sr2^iii	2.819 (3)	Li2—O15^vii	1.961 (7)
O2—Sr1^iv	2.869 (3)	Li2—O5^iii	1.981 (6)
O2—Sr1	3.136 (3)	Li2—Ti6^ii	3.279 (6)
O3—Ti1	1.915 (3)	Li2—Sr1^iii	3.292 (6)
O3—Ti4	2.065 (3)	Li2—Li2^xii	3.293 (11)
O3—Ti7^v	2.156 (3)	Li2—Ti8	3.323 (6)
O3—Sr1^iv	2.876 (3)	Li2—Ti10^xiii	3.367 (6)
O3—Sr1	2.898 (3)	Li2—Ti6^viii	3.386 (6)
O4—Ti8^v	1.866 (3)	Ti1—O3^iv	1.915 (3)
O4—Li2^v	1.956 (6)	Ti1—O4^iv	1.959 (3)
O4—Ti1	1.959 (3)	Ti1—O17^xiv	1.994 (3)
O4—Sr1	2.681 (3)	Ti1—O17^v	1.994 (3)
O5—Ti10^ii	1.895 (2)	Ti1—Fe8^xiv	2.9375 (12)
O5—Ti3	1.925 (3)	Ti1—Ti8^xiv	2.9375 (12)
O5—Li2^v	1.981 (6)	Ti1—Fe8^v	2.9375 (12)
O5—Sr1	2.651 (2)	Ti1—Ti8^v	2.9375 (12)
O6—Ti3^iv	1.937 (3)	Ti2—O2^iv	1.918 (3)
O6—Ti6	2.038 (3)	Ti2—O18^iii	1.962 (3)
O6—Ti4	2.065 (3)	Ti2—O18^i	1.962 (3)
O6—Sr1^iv	2.985 (3)	Ti2—O21^i	2.024 (3)
O6—Sr2^iii	3.126 (3)	Ti2—O21^iii	2.024 (3)
O7—Ti6	1.935 (2)	Ti2—Fe11^iii	2.9025 (12)
O7—Ti7^v	1.947 (2)	Ti2—Ti11^iii	2.9025 (12)
O7—Ti4	2.039 (2)	Ti2—Fe11^i	2.9025 (12)
O7—Sr2	2.779 (3)	Ti2—Ti11^i	2.9025 (12)
O8—Ti7	1.958 (3)	Ti3—O6^iv	1.937 (3)
O8—Ti4	1.960 (2)	Ti3—O20^ii	1.976 (3)
O8—Ti10	2.118 (2)	Ti3—O22^xv	2.019 (3)
O8—Sr2^iii	2.721 (3)	Ti3—O19^xv	2.034 (3)
O9—Ti8	1.947 (2)	Ti3—Fe10^ii	2.8424 (12)
O9—Ti5	1.970 (2)	Ti3—Ti10^ii	2.8424 (12)
O9—Ti9	2.042 (2)	Ti3—Fe9^xv	2.9957 (12)
O9—Sr1	2.683 (3)	Ti3—Ti9^xv	2.9957 (12)
O10—Ti4	1.950 (2)	Ti4—Ti6	3.0619 (9)
O10—Ti11	1.991 (2)	Ti4—Fe7^v	3.0646 (12)
O10—Ti8	2.187 (2)	Ti4—Ti7^v	3.0646 (12)
O10—Sr1	2.717 (3)	Ti5—O13^ii	1.961 (2)
O11—Ti8^v	1.910 (2)	Ti5—O14^iii	1.997 (2)
O11—Ti11	1.910 (2)	Ti5—O22^iii	2.070 (3)
O11—Ti7^v	1.942 (2)	Ti5—O18^iii	2.129 (3)
O12—Ti10^ii	1.891 (2)	Ti5—Fe9^iii	2.9067 (12)
O12—Ti9	1.933 (3)	Ti5—Ti9^iii	2.9067 (12)
O12—Ti6^ii	1.940 (2)	Ti5—Ti11^iii	3.1668 (9)
O13—Ti6	1.944 (2)	Ti5—Sr1	3.4755 (10)
O13—Ti5^vi	1.961 (2)	Ti6—O12^vi	1.940 (2)
O13—Ti10^v	2.212 (3)	Ti6—O19^vi	1.944 (2)
O13—Sr2	2.756 (3)	Ti6—O15^v	1.976 (3)
O14—Ti9	1.897 (2)	Ti6—Fe7^v	2.8987 (9)
O14—Ti5^v	1.997 (2)	Ti6—Ti7^v	2.8987 (9)
O14—Ti11	2.103 (2)	Ti6—Fe9^vi	2.9208 (9)
O14—Sr1	2.764 (3)	Ti6—Ti9^vi	2.9208 (9)
O15—Li2^vii	1.961 (7)	Ti7—O11^iii	1.942 (2)
O15—Ti6^iii	1.976 (3)	Ti7—O7^iii	1.947 (2)
O15—Ti10	1.986 (3)	Ti7—O3^iii	2.156 (3)
O15—Ti7	1.994 (2)	Ti7—Ti8	2.8867 (9)
O16—Ti8	1.959 (3)	Ti7—Fe6^iii	2.8987 (9)
O16—Ti9	1.969 (3)	Ti7—Ti6^iii	2.8987 (9)
O16—Li1^vii	1.975 (8)	Ti8—O4^iii	1.866 (3)
O16—Ti11	2.036 (3)	Ti8—O11^iii	1.910 (2)
O17—Ti7	1.934 (3)	Ti8—Ti9	2.9224 (9)
O17—Li1	1.949 (7)	Ti9—Fe5^v	2.9067 (12)
O17—Ti1^viii	1.994 (3)	Ti9—Ti5^v	2.9067 (12)
O17—Ti8	2.005 (3)	Ti9—Fe6^ii	2.9208 (9)
O18—Ti2^ix	1.962 (3)	Ti9—Ti6^ii	2.9208 (9)
O18—Ti11	1.997 (3)	Ti10—O12^vi	1.891 (2)
O18—Ti5^v	2.129 (3)	Ti10—O5^vi	1.895 (2)
O18—Sr2^vii	3.026 (3)	Ti10—O13^iii	2.212 (3)
O18—Sr1^v	3.100 (3)	Ti10—Fe3^vi	2.8424 (12)
O19—Li2	1.934 (6)	Ti10—Ti3^vi	2.8424 (12)
O19—Ti6^ii	1.944 (2)	Ti11—Fe2^ix	2.9025 (12)
O19—Ti9	1.994 (3)	Ti11—Ti2^ix	2.9025 (12)
O19—Ti3^x	2.034 (3)	Sr2—O8^v	2.721 (3)
O20—Ti10	1.849 (3)	Sr2—O1^ix	2.731 (3)
O20—Ti3^vi	1.976 (3)	Sr2—O2^v	2.819 (3)
O20—Li1	2.030 (7)	Sr2—O22^vii	2.877 (3)
O20—Sr2	2.665 (3)	Sr2—O18^vii	3.026 (3)
O21—Ti11	1.817 (2)	Sr2—O1^vi	3.032 (3)
O21—Li1	1.985 (7)	Sr2—O6^v	3.126 (3)
O21—Ti2^ix	2.024 (3)	Sr2—O22^xvi	3.145 (3)
O21—Sr2	2.633 (2)	Sr2—Ti3^vi	3.4310 (9)
O22—Ti9	1.956 (3)	Sr2—Ti2^ix	3.4547 (6)
O22—Ti3^x	2.019 (3)	Sr1—O2^iv	2.869 (3)
O22—Ti5^v	2.070 (3)	Sr1—O3^iv	2.876 (3)
O22—Sr2^vii	2.877 (3)	Sr1—O6^iv	2.985 (3)
O22—Sr2^xi	3.145 (3)	Sr1—O18^iii	3.100 (3)
Li1—O16^vii	1.975 (8)	Sr1—Li2^v	3.292 (6)
Ti3—O1—Ti5	160.80 (15)	Ti9^iii—Ti5—Ti11^iii	59.77 (2)
Ti3—O1—Sr2^i	99.05 (10)	O1—Ti5—Sr1	56.15 (8)
Ti5—O1—Sr2^i	100.01 (10)	O13^ii—Ti5—Sr1	125.45 (7)
Ti3—O1—Sr1	87.33 (10)	O9—Ti5—Sr1	50.23 (8)
Ti5—O1—Sr1	90.56 (9)	O14^iii—Ti5—Sr1	123.85 (7)
Sr2^i—O1—Sr1	103.25 (8)	O22^iii—Ti5—Sr1	130.26 (8)
Ti3—O1—Sr2^ii	85.29 (9)	O18^iii—Ti5—Sr1	61.77 (7)
Ti5—O1—Sr2^ii	89.15 (9)	Fe9^iii—Ti5—Sr1	147.15 (3)
Sr2^i—O1—Sr2^ii	99.96 (8)	Ti9^iii—Ti5—Sr1	147.15 (3)
Sr1—O1—Sr2^ii	156.47 (10)	Ti11^iii—Ti5—Sr1	90.63 (2)
Ti4—O2—Ti2	164.66 (15)	O7—Ti6—O12^vi	96.64 (10)
Ti4—O2—Sr2^iii	93.11 (10)	O7—Ti6—O13	96.19 (10)
Ti2—O2—Sr2^iii	91.66 (10)	O12^vi—Ti6—O13	93.12 (11)
Ti4—O2—Sr1^iv	97.95 (10)	O7—Ti6—O19^vi	164.76 (11)
Ti2—O2—Sr1^iv	95.37 (10)	O12^vi—Ti6—O19^vi	83.29 (11)
Sr2^iii—O2—Sr1^iv	101.50 (8)	O13—Ti6—O19^vi	99.03 (11)
Ti4—O2—Sr1	84.26 (9)	O7—Ti6—O15^v	85.13 (10)
Ti2—O2—Sr1	87.25 (9)	O12^vi—Ti6—O15^v	177.53 (11)
Sr2^iii—O2—Sr1	164.49 (10)	O13—Ti6—O15^v	84.96 (10)
Sr1^iv—O2—Sr1	94.01 (7)	O19^vi—Ti6—O15^v	95.46 (11)
Ti1—O3—Ti4	172.16 (16)	O7—Ti6—O6	82.66 (10)
Ti1—O3—Ti7^v	93.26 (12)	O12^vi—Ti6—O6	88.84 (11)
Ti4—O3—Ti7^v	93.09 (11)	O13—Ti6—O6	177.83 (11)
Ti1—O3—Sr1^iv	85.63 (10)	O19^vi—Ti6—O6	82.10 (11)
Ti4—O3—Sr1^iv	93.23 (10)	O15^v—Ti6—O6	93.10 (11)
Ti7^v—O3—Sr1^iv	134.05 (12)	O7—Ti6—Fe7^v	41.84 (7)
Ti1—O3—Sr1	84.98 (9)	O12^vi—Ti6—Fe7^v	138.32 (8)
Ti4—O3—Sr1	87.55 (9)	O13—Ti6—Fe7^v	89.18 (7)
Ti7^v—O3—Sr1	126.56 (11)	O19^vi—Ti6—Fe7^v	137.35 (8)
Sr1^iv—O3—Sr1	99.16 (9)	O15^v—Ti6—Fe7^v	43.35 (7)
Ti8^v—O4—Li2^v	120.8 (2)	O6—Ti6—Fe7^v	88.74 (8)
Ti8^v—O4—Ti1	100.30 (12)	O7—Ti6—Ti7^v	41.84 (7)
Li2^v—O4—Ti1	124.7 (2)	O12^vi—Ti6—Ti7^v	138.32 (8)
Ti8^v—O4—Sr1	130.63 (13)	O13—Ti6—Ti7^v	89.18 (7)
Li2^v—O4—Sr1	89.05 (18)	O19^vi—Ti6—Ti7^v	137.35 (8)
Ti1—O4—Sr1	90.39 (10)	O15^v—Ti6—Ti7^v	43.35 (7)
Ti10^ii—O5—Ti3	96.17 (11)	O6—Ti6—Ti7^v	88.74 (8)
Ti10^ii—O5—Li2^v	120.6 (2)	Fe7^v—Ti6—Ti7^v	0.00 (4)
Ti3—O5—Li2^v	123.8 (2)	O7—Ti6—Fe9^vi	137.06 (8)
Ti10^ii—O5—Sr1	133.97 (12)	O12^vi—Ti6—Fe9^vi	40.96 (7)
Ti3—O5—Sr1	93.41 (10)	O13—Ti6—Fe9^vi	93.30 (7)
Li2^v—O5—Sr1	89.38 (18)	O19^vi—Ti6—Fe9^vi	42.78 (7)
Ti3^iv—O6—Ti6	97.81 (11)	O15^v—Ti6—Fe9^vi	137.50 (8)
Ti3^iv—O6—Ti4	164.77 (15)	O6—Ti6—Fe9^vi	88.79 (8)
Ti6—O6—Ti4	96.53 (11)	Fe7^v—Ti6—Fe9^vi	177.45 (3)
Ti3^iv—O6—Sr1^iv	83.43 (9)	Ti7^v—Ti6—Fe9^vi	177.45 (3)
Ti6—O6—Sr1^iv	134.75 (12)	O7—Ti6—Ti9^vi	137.06 (8)
Ti4—O6—Sr1^iv	90.12 (9)	O12^vi—Ti6—Ti9^vi	40.96 (7)
Ti3^iv—O6—Sr2^iii	85.52 (9)	O13—Ti6—Ti9^vi	93.30 (7)
Ti6—O6—Sr2^iii	133.05 (11)	O19^vi—Ti6—Ti9^vi	42.78 (7)
Ti4—O6—Sr2^iii	80.95 (8)	O15^v—Ti6—Ti9^vi	137.50 (8)
Sr1^iv—O6—Sr2^iii	92.20 (7)	O6—Ti6—Ti9^vi	88.79 (8)
Ti6—O7—Ti7^v	96.62 (11)	Fe7^v—Ti6—Ti9^vi	177.45 (3)
Ti6—O7—Ti4	100.76 (11)	Ti7^v—Ti6—Ti9^vi	177.45 (3)
Ti7^v—O7—Ti4	100.50 (11)	Fe9^vi—Ti6—Ti9^vi	0.00 (4)
Ti6—O7—Sr2	98.53 (9)	O17—Ti7—O11^iii	84.73 (10)
Ti7^v—O7—Sr2	96.36 (9)	O17—Ti7—O7^iii	164.69 (11)
Ti4—O7—Sr2	152.62 (12)	O11^iii—Ti7—O7^iii	94.38 (10)
Ti7—O8—Ti4	126.22 (12)	O17—Ti7—O8	98.45 (11)
Ti7—O8—Ti10	95.50 (11)	O11^iii—Ti7—O8	94.77 (10)
Ti4—O8—Ti10	129.57 (12)	O7^iii—Ti7—O8	96.86 (11)
Ti7—O8—Sr2^iii	97.93 (10)	O17—Ti7—O15	96.78 (11)
Ti4—O8—Sr2^iii	94.08 (10)	O11^iii—Ti7—O15	178.36 (11)
Ti10—O8—Sr2^iii	108.15 (9)	O7^iii—Ti7—O15	84.33 (10)
Ti8—O9—Ti5	125.42 (12)	O8—Ti7—O15	84.39 (10)
Ti8—O9—Ti9	94.16 (11)	O17—Ti7—O3^iii	81.90 (11)
Ti5—O9—Ti9	130.84 (12)	O11^iii—Ti7—O3^iii	88.23 (10)
Ti8—O9—Sr1	108.40 (10)	O7^iii—Ti7—O3^iii	82.79 (10)
Ti5—O9—Sr1	95.41 (10)	O8—Ti7—O3^iii	177.00 (10)
Ti9—O9—Sr1	98.21 (9)	O15—Ti7—O3^iii	92.61 (11)
Ti4—O10—Ti11	129.03 (12)	O17—Ti7—Ti8	43.85 (7)
Ti4—O10—Ti8	126.81 (11)	O11^iii—Ti7—Ti8	41.04 (7)
Ti11—O10—Ti8	96.56 (10)	O7^iii—Ti7—Ti8	134.48 (7)
Ti4—O10—Sr1	95.23 (10)	O8—Ti7—Ti8	95.93 (7)
Ti11—O10—Sr1	102.50 (9)	O15—Ti7—Ti8	140.41 (8)
Ti8—O10—Sr1	100.30 (9)	O3^iii—Ti7—Ti8	86.39 (7)
Ti8^v—O11—Ti11	130.04 (13)	O17—Ti7—Fe6^iii	138.16 (8)
Ti8^v—O11—Ti7^v	97.09 (11)	O11^iii—Ti7—Fe6^iii	135.81 (7)
Ti11—O11—Ti7^v	128.52 (12)	O7^iii—Ti7—Fe6^iii	41.54 (7)
Ti10^ii—O12—Ti9	130.31 (13)	O8—Ti7—Fe6^iii	89.26 (7)
Ti10^ii—O12—Ti6^ii	129.04 (13)	O15—Ti7—Fe6^iii	42.85 (7)
Ti9—O12—Ti6^ii	97.89 (11)	O3^iii—Ti7—Fe6^iii	88.52 (7)
Ti6—O13—Ti5^vi	128.23 (12)	Ti8—Ti7—Fe6^iii	174.08 (3)
Ti6—O13—Ti10^v	95.01 (11)	O17—Ti7—Ti6^iii	138.16 (8)
Ti5^vi—O13—Ti10^v	128.07 (12)	O11^iii—Ti7—Ti6^iii	135.81 (7)
Ti6—O13—Sr2	99.05 (10)	O7^iii—Ti7—Ti6^iii	41.54 (7)
Ti5^vi—O13—Sr2	96.49 (10)	O8—Ti7—Ti6^iii	89.26 (7)
Ti10^v—O13—Sr2	104.21 (9)	O15—Ti7—Ti6^iii	42.85 (7)
Ti9—O14—Ti5^v	96.52 (11)	O3^iii—Ti7—Ti6^iii	88.52 (7)
Ti9—O14—Ti11	98.55 (11)	Ti8—Ti7—Ti6^iii	174.08 (3)
Ti5^v—O14—Ti11	101.11 (11)	Fe6^iii—Ti7—Ti6^iii	0.00 (2)
Ti9—O14—Sr1	99.31 (10)	O4^iii—Ti8—O11^iii	95.25 (11)
Ti5^v—O14—Sr1	152.96 (12)	O4^iii—Ti8—O9	102.30 (11)
Ti11—O14—Sr1	98.05 (9)	O11^iii—Ti8—O9	100.31 (10)
Li2^vii—O15—Ti6^iii	118.7 (2)	O4^iii—Ti8—O16	95.80 (12)
Li2^vii—O15—Ti10	119.1 (2)	O11^iii—Ti8—O16	166.03 (11)
Ti6^iii—O15—Ti10	101.58 (12)	O9—Ti8—O16	85.65 (10)
Li2^vii—O15—Ti7	120.2 (2)	O4^iii—Ti8—O17	83.56 (11)
Ti6^iii—O15—Ti7	93.80 (11)	O11^iii—Ti8—O17	83.62 (11)
Ti10—O15—Ti7	98.71 (11)	O9—Ti8—O17	172.52 (11)
Ti8—O16—Ti9	96.16 (11)	O16—Ti8—O17	89.15 (11)
Ti8—O16—Li1^vii	120.0 (2)	O4^iii—Ti8—O10	169.81 (11)
Ti9—O16—Li1^vii	116.8 (2)	O11^iii—Ti8—O10	89.14 (10)
Ti8—O16—Ti11	102.71 (12)	O9—Ti8—O10	85.90 (10)
Ti9—O16—Ti11	98.51 (11)	O16—Ti8—O10	78.63 (10)
Li1^vii—O16—Ti11	118.4 (2)	O17—Ti8—O10	87.80 (10)
Ti7—O17—Li1	117.4 (2)	O4^iii—Ti8—Ti7	92.08 (8)
Ti7—O17—Ti1^viii	97.98 (12)	O11^iii—Ti8—Ti7	41.87 (7)
Li1—O17—Ti1^viii	121.0 (3)	O9—Ti8—Ti7	141.11 (8)
Ti7—O17—Ti8	94.23 (11)	O16—Ti8—Ti7	129.04 (8)
Li1—O17—Ti8	125.2 (2)	O17—Ti8—Ti7	41.92 (7)
Ti1^viii—O17—Ti8	94.53 (10)	O10—Ti8—Ti7	85.04 (7)
Ti2^ix—O18—Ti11	94.31 (11)	O4^iii—Ti8—Ti9	96.68 (8)
Ti2^ix—O18—Ti5^v	165.37 (14)	O11^iii—Ti8—Ti9	144.28 (8)
Ti11—O18—Ti5^v	100.22 (11)	O9—Ti8—Ti9	44.19 (7)
Ti2^ix—O18—Sr2^vii	84.83 (9)	O16—Ti8—Ti9	42.05 (7)
Ti11—O18—Sr2^vii	133.08 (11)	O17—Ti8—Ti9	131.12 (8)
Ti5^v—O18—Sr2^vii	86.52 (8)	O10—Ti8—Ti9	84.93 (7)
Ti2^ix—O18—Sr1^v	87.52 (9)	Ti7—Ti8—Ti9	168.07 (3)
Ti11—O18—Sr1^v	134.98 (11)	O14—Ti9—O12	98.87 (10)
Ti5^v—O18—Sr1^v	80.99 (8)	O14—Ti9—O22	88.01 (11)
Sr2^vii—O18—Sr1^v	91.92 (7)	O12—Ti9—O22	92.85 (11)
Li2—O19—Ti6^ii	115.4 (2)	O14—Ti9—O16	84.83 (10)
Li2—O19—Ti9	122.7 (2)	O12—Ti9—O16	170.61 (11)
Ti6^ii—O19—Ti9	95.75 (11)	O22—Ti9—O16	95.91 (11)
Li2—O19—Ti3^x	123.2 (2)	O14—Ti9—O19	172.29 (11)
Ti6^ii—O19—Ti3^x	97.72 (11)	O12—Ti9—O19	82.18 (10)
Ti9—O19—Ti3^x	96.09 (11)	O22—Ti9—O19	84.31 (11)
Ti10—O20—Ti3^vi	95.95 (12)	O16—Ti9—O19	95.32 (10)
Ti10—O20—Li1	120.5 (2)	O14—Ti9—O9	94.43 (10)
Ti3^vi—O20—Li1	124.5 (2)	O12—Ti9—O9	88.21 (10)
Ti10—O20—Sr2	135.83 (12)	O22—Ti9—O9	177.16 (11)
Ti3^vi—O20—Sr2	94.17 (9)	O16—Ti9—O9	82.88 (10)
Li1—O20—Sr2	87.1 (2)	O19—Ti9—O9	93.23 (11)
Ti11—O21—Li1	116.2 (2)	O14—Ti9—Fe5^v	43.05 (7)
Ti11—O21—Ti2^ix	98.04 (11)	O12—Ti9—Fe5^v	93.54 (7)
Li1—O21—Ti2^ix	128.3 (2)	O22—Ti9—Fe5^v	45.36 (8)
Ti11—O21—Sr2	133.09 (12)	O16—Ti9—Fe5^v	95.01 (8)
Li1—O21—Sr2	88.9 (2)	O19—Ti9—Fe5^v	129.38 (8)
Ti2^ix—O21—Sr2	94.88 (9)	O9—Ti9—Fe5^v	137.22 (8)
Ti9—O22—Ti3^x	97.80 (12)	O14—Ti9—Ti5^v	43.05 (7)
Ti9—O22—Ti5^v	92.39 (11)	O12—Ti9—Ti5^v	93.54 (7)
Ti3^x—O22—Ti5^v	166.84 (14)	O22—Ti9—Ti5^v	45.36 (8)
Ti9—O22—Sr2^vii	134.64 (11)	O16—Ti9—Ti5^v	95.01 (8)
Ti3^x—O22—Sr2^vii	87.12 (9)	O19—Ti9—Ti5^v	129.38 (8)
Ti5^v—O22—Sr2^vii	91.65 (9)	O9—Ti9—Ti5^v	137.22 (8)
Ti9—O22—Sr2^xi	131.09 (11)	Fe5^v—Ti9—Ti5^v	0.00 (2)
Ti3^x—O22—Sr2^xi	83.71 (8)	O14—Ti9—Fe6^ii	140.02 (8)
Ti5^v—O22—Sr2^xi	83.32 (8)	O12—Ti9—Fe6^ii	41.15 (7)
Sr2^vii—O22—Sr2^xi	94.25 (7)	O22—Ti9—Fe6^ii	92.79 (8)
O17—Li1—O16^vii	110.1 (4)	O16—Ti9—Fe6^ii	134.64 (8)
O17—Li1—O21	112.9 (4)	O19—Ti9—Fe6^ii	41.47 (7)
O16^vii—Li1—O21	105.8 (3)	O9—Ti9—Fe6^ii	86.27 (7)
O17—Li1—O20	113.1 (3)	Fe5^v—Ti9—Fe6^ii	121.48 (3)
O16^vii—Li1—O20	110.2 (3)	Ti5^v—Ti9—Fe6^ii	121.48 (3)
O21—Li1—O20	104.4 (3)	O14—Ti9—Ti6^ii	140.02 (8)
O17—Li1—Ti11	82.7 (2)	O12—Ti9—Ti6^ii	41.15 (7)
O16^vii—Li1—Ti11	121.6 (3)	O22—Ti9—Ti6^ii	92.79 (8)
O21—Li1—Ti11	30.34 (13)	O16—Ti9—Ti6^ii	134.64 (8)
O20—Li1—Ti11	116.0 (3)	O19—Ti9—Ti6^ii	41.47 (7)
O17—Li1—Sr2	146.7 (3)	O9—Ti9—Ti6^ii	86.27 (7)
O16^vii—Li1—Sr2	103.1 (3)	Fe5^v—Ti9—Ti6^ii	121.48 (3)
O21—Li1—Sr2	53.69 (17)	Ti5^v—Ti9—Ti6^ii	121.48 (3)
O20—Li1—Sr2	54.56 (17)	Fe6^ii—Ti9—Ti6^ii	0.000 (13)
Ti11—Li1—Sr2	78.17 (15)	O20—Ti10—O12^vi	95.60 (11)
O17—Li1—Ti7	31.17 (14)	O20—Ti10—O5^vi	85.99 (11)
O16^vii—Li1—Ti7	124.9 (3)	O12^vi—Ti10—O5^vi	93.51 (11)
O21—Li1—Ti7	123.4 (3)	O20—Ti10—O15	95.47 (11)
O20—Li1—Ti7	81.9 (2)	O12^vi—Ti10—O15	167.65 (11)
Ti11—Li1—Ti7	95.85 (19)	O5^vi—Ti10—O15	92.72 (11)
Sr2—Li1—Ti7	124.7 (2)	O20—Ti10—O8	96.75 (11)
O17—Li1—Ti9^vii	125.5 (3)	O12^vi—Ti10—O8	92.72 (10)
O16^vii—Li1—Ti9^vii	31.52 (14)	O5^vi—Ti10—O8	172.92 (11)
O21—Li1—Ti9^vii	114.8 (3)	O15—Ti10—O8	80.54 (10)
O20—Li1—Ti9^vii	78.7 (2)	O20—Ti10—O13^iii	173.46 (11)
Ti11—Li1—Ti9^vii	142.2 (2)	O12^vi—Ti10—O13^iii	90.90 (10)
Sr2—Li1—Ti9^vii	84.92 (16)	O5^vi—Ti10—O13^iii	94.39 (10)
Ti7—Li1—Ti9^vii	121.4 (2)	O15—Ti10—O13^iii	77.99 (10)
O17—Li1—Ti10	84.9 (2)	O8—Ti10—O13^iii	82.14 (9)
O16^vii—Li1—Ti10	123.7 (3)	O20—Ti10—Fe3^vi	43.74 (8)
O21—Li1—Ti10	117.6 (3)	O12^vi—Ti10—Fe3^vi	94.28 (8)
O20—Li1—Ti10	28.21 (13)	O5^vi—Ti10—Fe3^vi	42.32 (8)
Ti11—Li1—Ti10	113.8 (2)	O15—Ti10—Fe3^vi	97.51 (8)
Sr2—Li1—Ti10	78.38 (15)	O8—Ti10—Fe3^vi	140.35 (7)
Ti7—Li1—Ti10	53.69 (11)	O13^iii—Ti10—Fe3^vi	136.60 (7)
Ti9^vii—Li1—Ti10	95.20 (17)	O20—Ti10—Ti3^vi	43.74 (8)
O17—Li1—Ti8^vii	80.7 (2)	O12^vi—Ti10—Ti3^vi	94.28 (8)
O16^vii—Li1—Ti8^vii	29.85 (14)	O5^vi—Ti10—Ti3^vi	42.32 (8)
O21—Li1—Ti8^vii	124.1 (3)	O15—Ti10—Ti3^vi	97.51 (8)
O20—Li1—Ti8^vii	119.9 (3)	O8—Ti10—Ti3^vi	140.35 (7)
Ti11—Li1—Ti8^vii	123.9 (2)	O13^iii—Ti10—Ti3^vi	136.60 (7)
Sr2—Li1—Ti8^vii	132.6 (2)	Fe3^vi—Ti10—Ti3^vi	0.00 (4)
Ti7—Li1—Ti8^vii	96.57 (17)	O20—Ti10—Ti7	93.55 (8)
Ti9^vii—Li1—Ti8^vii	51.16 (11)	O12^vi—Ti10—Ti7	132.83 (8)
Ti10—Li1—Ti8^vii	117.52 (19)	O5^vi—Ti10—Ti7	133.30 (8)
O19—Li2—O4^iii	108.8 (3)	O15—Ti10—Ti7	40.75 (7)
O19—Li2—O15^vii	108.4 (3)	O8—Ti10—Ti7	40.21 (7)
O4^iii—Li2—O15^vii	108.6 (3)	O13^iii—Ti10—Ti7	81.42 (6)
O19—Li2—O5^iii	116.3 (3)	Fe3^vi—Ti10—Ti7	122.75 (3)
O4^iii—Li2—O5^iii	104.0 (3)	Ti3^vi—Ti10—Ti7	122.75 (3)
O15^vii—Li2—O5^iii	110.4 (3)	O21—Ti11—O11	95.24 (11)
O19—Li2—Ti6^ii	32.38 (12)	O21—Ti11—O10	103.79 (11)
O4^iii—Li2—Ti6^ii	120.2 (3)	O11—Ti11—O10	94.59 (10)
O15^vii—Li2—Ti6^ii	123.9 (2)	O21—Ti11—O18	85.96 (11)
O5^iii—Li2—Ti6^ii	83.96 (19)	O11—Ti11—O18	89.23 (11)
O19—Li2—Sr1^iii	145.9 (3)	O10—Ti11—O18	169.12 (11)
O4^iii—Li2—Sr1^iii	54.51 (15)	O21—Ti11—O16	97.45 (11)
O15^vii—Li2—Sr1^iii	105.4 (2)	O11—Ti11—O16	167.29 (11)
O5^iii—Li2—Sr1^iii	53.64 (15)	O10—Ti11—O16	81.63 (10)
Ti6^ii—Li2—Sr1^iii	124.41 (18)	O18—Ti11—O16	92.45 (11)
O19—Li2—Li2^xii	74.5 (2)	O21—Ti11—O14	164.54 (11)
O4^iii—Li2—Li2^xii	176.5 (3)	O11—Ti11—O14	89.83 (10)
O15^vii—Li2—Li2^xii	70.9 (2)	O10—Ti11—O14	90.31 (10)
O5^iii—Li2—Li2^xii	73.2 (2)	O18—Ti11—O14	79.50 (10)
Ti6^ii—Li2—Li2^xii	62.03 (17)	O16—Ti11—O14	78.10 (10)
Sr1^iii—Li2—Li2^xii	122.1 (2)	O21—Ti11—Fe2^ix	43.66 (8)
O19—Li2—Ti8	80.17 (19)	O11—Ti11—Fe2^ix	90.99 (8)
O4^iii—Li2—Ti8	28.85 (12)	O10—Ti11—Fe2^ix	147.41 (8)
O15^vii—Li2—Ti8	123.1 (2)	O18—Ti11—Fe2^ix	42.38 (7)
O5^iii—Li2—Ti8	115.0 (2)	O16—Ti11—Fe2^ix	98.74 (8)
Ti6^ii—Li2—Ti8	93.66 (15)	O14—Ti11—Fe2^ix	121.85 (7)
Sr1^iii—Li2—Ti8	77.61 (13)	O21—Ti11—Ti2^ix	43.66 (8)
Li2^xii—Li2—Ti8	154.2 (3)	O11—Ti11—Ti2^ix	90.99 (8)
O19—Li2—Ti10^xiii	87.4 (2)	O10—Ti11—Ti2^ix	147.41 (8)
O4^iii—Li2—Ti10^xiii	117.1 (3)	O18—Ti11—Ti2^ix	42.38 (7)
O15^vii—Li2—Ti10^xiii	123.3 (2)	O16—Ti11—Ti2^ix	98.74 (8)
O5^iii—Li2—Ti10^xiii	28.97 (11)	O14—Ti11—Ti2^ix	121.85 (7)
Ti6^ii—Li2—Ti10^xiii	55.00 (9)	Fe2^ix—Ti11—Ti2^ix	0.00 (3)
Sr1^iii—Li2—Ti10^xiii	78.08 (12)	O21—Ti11—Ti9	135.39 (9)
Li2^xii—Li2—Ti10^xiii	61.45 (17)	O11—Ti11—Ti9	127.95 (8)
Ti8—Li2—Ti10^xiii	113.05 (18)	O10—Ti11—Ti9	85.35 (7)
O19—Li2—Ti6^viii	124.0 (3)	O18—Ti11—Ti9	84.28 (8)
O4^iii—Li2—Ti6^viii	119.0 (2)	O16—Ti11—Ti9	39.91 (7)
O15^vii—Li2—Ti6^viii	30.80 (12)	O14—Ti11—Ti9	38.19 (7)
O5^iii—Li2—Ti6^viii	79.65 (19)	Fe2^ix—Ti11—Ti9	115.83 (3)
Ti6^ii—Li2—Ti6^viii	120.80 (17)	Ti2^ix—Ti11—Ti9	115.83 (3)
Sr1^iii—Li2—Ti6^viii	88.27 (13)	O21—Sr2—O20	73.53 (8)
Li2^xii—Li2—Ti6^viii	58.77 (18)	O21—Sr2—O8^v	93.53 (7)
Ti8—Li2—Ti6^viii	144.49 (18)	O20—Sr2—O8^v	129.53 (8)
Ti10^xiii—Li2—Ti6^viii	95.19 (14)	O21—Sr2—O1^ix	115.92 (7)
O3^iv—Ti1—O3	95.78 (18)	O20—Sr2—O1^ix	117.46 (8)
O3^iv—Ti1—O4^iv	94.16 (11)	O8^v—Sr2—O1^ix	112.10 (8)
O3—Ti1—O4^iv	92.36 (11)	O21—Sr2—O13	130.51 (7)
O3^iv—Ti1—O4	92.36 (11)	O20—Sr2—O13	88.98 (7)
O3—Ti1—O4	94.16 (11)	O8^v—Sr2—O13	62.60 (7)
O4^iv—Ti1—O4	170.26 (16)	O1^ix—Sr2—O13	113.26 (7)
O3^iv—Ti1—O17^xiv	86.78 (12)	O21—Sr2—O7	67.74 (7)
O3—Ti1—O17^xiv	173.56 (10)	O20—Sr2—O7	65.83 (7)
O4^iv—Ti1—O17^xiv	81.54 (11)	O8^v—Sr2—O7	64.16 (8)
O4—Ti1—O17^xiv	91.63 (11)	O1^ix—Sr2—O7	175.36 (7)
O3^iv—Ti1—O17^v	173.56 (10)	O13—Sr2—O7	62.87 (7)
O3—Ti1—O17^v	86.78 (12)	O21—Sr2—O2^v	62.05 (8)
O4^iv—Ti1—O17^v	91.63 (11)	O20—Sr2—O2^v	135.15 (8)
O4—Ti1—O17^v	81.54 (11)	O8^v—Sr2—O2^v	62.45 (7)
O17^xiv—Ti1—O17^v	91.29 (15)	O1^ix—Sr2—O2^v	79.29 (8)
O3^iv—Ti1—Fe8^xiv	89.51 (9)	O13—Sr2—O2^v	124.17 (7)
O3—Ti1—Fe8^xiv	131.05 (8)	O7—Sr2—O2^v	100.67 (7)
O4^iv—Ti1—Fe8^xiv	38.69 (8)	O21—Sr2—O22^vii	92.95 (7)
O4—Ti1—Fe8^xiv	134.31 (8)	O20—Sr2—O22^vii	59.79 (7)
O17^xiv—Ti1—Fe8^xiv	42.89 (7)	O8^v—Sr2—O22^vii	170.04 (7)
O17^v—Ti1—Fe8^xiv	93.26 (8)	O1^ix—Sr2—O22^vii	58.13 (8)
O3^iv—Ti1—Ti8^xiv	89.51 (9)	O13—Sr2—O22^vii	117.82 (7)
O3—Ti1—Ti8^xiv	131.05 (8)	O7—Sr2—O22^vii	125.48 (7)
O4^iv—Ti1—Ti8^xiv	38.69 (8)	O2^v—Sr2—O22^vii	114.51 (7)
O4—Ti1—Ti8^xiv	134.31 (8)	O21—Sr2—O18^vii	58.16 (7)
O17^xiv—Ti1—Ti8^xiv	42.89 (7)	O20—Sr2—O18^vii	95.67 (7)
O17^v—Ti1—Ti8^xiv	93.26 (8)	O8^v—Sr2—O18^vii	118.76 (7)
Fe8^xiv—Ti1—Ti8^xiv	0.00 (3)	O1^ix—Sr2—O18^vii	57.98 (7)
O3^iv—Ti1—Fe8^v	131.05 (8)	O13—Sr2—O18^vii	171.23 (7)
O3—Ti1—Fe8^v	89.51 (9)	O7—Sr2—O18^vii	125.86 (7)
O4^iv—Ti1—Fe8^v	134.31 (8)	O2^v—Sr2—O18^vii	56.31 (7)
O4—Ti1—Fe8^v	38.69 (8)	O22^vii—Sr2—O18^vii	59.15 (7)
O17^xiv—Ti1—Fe8^v	93.26 (8)	O21—Sr2—O1^vi	132.94 (7)
O17^v—Ti1—Fe8^v	42.89 (7)	O20—Sr2—O1^vi	60.44 (7)
Fe8^xiv—Ti1—Fe8^v	122.19 (5)	O8^v—Sr2—O1^vi	122.47 (7)
Ti8^xiv—Ti1—Fe8^v	122.19 (5)	O1^ix—Sr2—O1^vi	80.04 (8)
O3^iv—Ti1—Ti8^v	131.05 (8)	O13—Sr2—O1^vi	61.23 (7)
O3—Ti1—Ti8^v	89.51 (9)	O7—Sr2—O1^vi	99.56 (7)
O4^iv—Ti1—Ti8^v	134.31 (8)	O2^v—Sr2—O1^vi	158.82 (8)
O4—Ti1—Ti8^v	38.69 (8)	O22^vii—Sr2—O1^vi	56.61 (7)
O17^xiv—Ti1—Ti8^v	93.26 (8)	O18^vii—Sr2—O1^vi	114.88 (7)
O17^v—Ti1—Ti8^v	42.89 (7)	O21—Sr2—O6^v	116.82 (7)
Fe8^xiv—Ti1—Ti8^v	122.19 (5)	O20—Sr2—O6^v	168.90 (7)
Ti8^xiv—Ti1—Ti8^v	122.19 (5)	O8^v—Sr2—O6^v	56.56 (7)
Fe8^v—Ti1—Ti8^v	0.00 (3)	O1^ix—Sr2—O6^v	55.54 (7)
O2—Ti2—O2^iv	92.06 (16)	O13—Sr2—O6^v	86.76 (7)
O2—Ti2—O18^iii	99.00 (11)	O7—Sr2—O6^v	120.65 (7)
O2^iv—Ti2—O18^iii	90.88 (11)	O2^v—Sr2—O6^v	54.80 (7)
O2—Ti2—O18^i	90.88 (11)	O22^vii—Sr2—O6^v	113.63 (7)
O2^iv—Ti2—O18^i	99.00 (11)	O18^vii—Sr2—O6^v	87.32 (7)
O18^iii—Ti2—O18^i	165.80 (16)	O1^vi—Sr2—O6^v	108.62 (7)
O2—Ti2—O21^i	172.16 (10)	O21—Sr2—O22^xvi	171.57 (7)
O2^iv—Ti2—O21^i	91.11 (11)	O20—Sr2—O22^xvi	112.65 (7)
O18^iii—Ti2—O21^i	88.12 (10)	O8^v—Sr2—O22^xvi	86.74 (7)
O18^i—Ti2—O21^i	81.55 (10)	O1^ix—Sr2—O22^xvi	56.51 (7)
O2—Ti2—O21^iii	91.11 (11)	O13—Sr2—O22^xvi	56.77 (7)
O2^iv—Ti2—O21^iii	172.16 (10)	O7—Sr2—O22^xvi	119.62 (7)
O18^iii—Ti2—O21^iii	81.55 (10)	O2^v—Sr2—O22^xvi	110.98 (7)
O18^i—Ti2—O21^iii	88.12 (10)	O22^vii—Sr2—O22^xvi	85.75 (7)
O21^i—Ti2—O21^iii	86.66 (15)	O18^vii—Sr2—O22^xvi	114.48 (7)
O2—Ti2—Fe11^iii	94.54 (8)	O1^vi—Sr2—O22^xvi	52.36 (7)
O2^iv—Ti2—Fe11^iii	134.19 (8)	O6^v—Sr2—O22^xvi	56.63 (7)
O18^iii—Ti2—Fe11^iii	43.32 (8)	O21—Sr2—Li1	37.40 (13)
O18^i—Ti2—Fe11^iii	126.11 (8)	O20—Sr2—Li1	38.36 (13)
O21^i—Ti2—Fe11^iii	88.37 (8)	O8^v—Sr2—Li1	123.73 (13)
O21^iii—Ti2—Fe11^iii	38.30 (7)	O1^ix—Sr2—Li1	114.25 (14)
O2—Ti2—Ti11^iii	94.54 (8)	O13—Sr2—Li1	121.20 (13)
O2^iv—Ti2—Ti11^iii	134.19 (8)	O7—Sr2—Li1	70.38 (14)
O18^iii—Ti2—Ti11^iii	43.32 (8)	O2^v—Sr2—Li1	97.04 (13)
O18^i—Ti2—Ti11^iii	126.11 (8)	O22^vii—Sr2—Li1	65.32 (14)
O21^i—Ti2—Ti11^iii	88.37 (8)	O18^vii—Sr2—Li1	66.02 (13)
O21^iii—Ti2—Ti11^iii	38.30 (7)	O1^vi—Sr2—Li1	95.61 (13)
Fe11^iii—Ti2—Ti11^iii	0.00 (3)	O6^v—Sr2—Li1	149.95 (13)
O2—Ti2—Fe11^i	134.19 (8)	O22^xvi—Sr2—Li1	146.38 (13)
O2^iv—Ti2—Fe11^i	94.54 (8)	O21—Sr2—Ti3^vi	101.09 (6)
O18^iii—Ti2—Fe11^i	126.11 (8)	O20—Sr2—Ti3^vi	35.05 (6)
O18^i—Ti2—Fe11^i	43.32 (8)	O8^v—Sr2—Ti3^vi	148.72 (5)
O21^i—Ti2—Fe11^i	38.30 (7)	O1^ix—Sr2—Ti3^vi	86.16 (6)
O21^iii—Ti2—Fe11^i	88.37 (8)	O13—Sr2—Ti3^vi	87.18 (5)
Fe11^iii—Ti2—Fe11^i	112.02 (5)	O7—Sr2—Ti3^vi	96.01 (5)
Ti11^iii—Ti2—Fe11^i	112.02 (5)	O2^v—Sr2—Ti3^vi	148.55 (5)
O2—Ti2—Ti11^i	134.19 (8)	O22^vii—Sr2—Ti3^vi	35.99 (5)
O2^iv—Ti2—Ti11^i	94.54 (8)	O18^vii—Sr2—Ti3^vi	92.35 (5)
O18^iii—Ti2—Ti11^i	126.11 (8)	O1^vi—Sr2—Ti3^vi	32.98 (5)
O18^i—Ti2—Ti11^i	43.32 (8)	O6^v—Sr2—Ti3^vi	134.34 (5)
O21^i—Ti2—Ti11^i	38.30 (7)	O22^xvi—Sr2—Ti3^vi	82.73 (5)
O21^iii—Ti2—Ti11^i	88.37 (8)	Li1—Sr2—Ti3^vi	63.86 (12)
Fe11^iii—Ti2—Ti11^i	112.02 (5)	O21—Sr2—Ti2^ix	35.71 (6)
Ti11^iii—Ti2—Ti11^i	112.02 (5)	O20—Sr2—Ti2^ix	103.09 (6)
Fe11^i—Ti2—Ti11^i	0.00 (3)	O8^v—Sr2—Ti2^ix	89.96 (5)
O1—Ti3—O5	96.42 (12)	O1^ix—Sr2—Ti2^ix	84.73 (6)
O1—Ti3—O6^iv	92.40 (11)	O13—Sr2—Ti2^ix	150.96 (5)
O5—Ti3—O6^iv	91.70 (11)	O7—Sr2—Ti2^ix	97.82 (5)
O1—Ti3—O20^ii	97.04 (11)	O2^v—Sr2—Ti2^ix	33.70 (5)
O5—Ti3—O20^ii	81.75 (11)	O22^vii—Sr2—Ti2^ix	90.88 (5)
O6^iv—Ti3—O20^ii	169.04 (12)	O18^vii—Sr2—Ti2^ix	34.44 (5)
O1—Ti3—O22^xv	92.14 (11)	O1^vi—Sr2—Ti2^ix	147.39 (5)
O5—Ti3—O22^xv	167.17 (11)	O6^v—Sr2—Ti2^ix	85.40 (5)
O6^iv—Ti3—O22^xv	97.49 (11)	O22^xvi—Sr2—Ti2^ix	135.91 (5)
O20^ii—Ti3—O22^xv	87.74 (10)	Li1—Sr2—Ti2^ix	64.84 (12)
O1—Ti3—O19^xv	171.29 (11)	Ti3^vi—Sr2—Ti2^ix	117.79 (2)
O5—Ti3—O19^xv	90.71 (11)	O5—Sr1—O4	71.18 (8)
O6^iv—Ti3—O19^xv	82.36 (11)	O5—Sr1—O9	90.71 (7)
O20^ii—Ti3—O19^xv	88.90 (10)	O4—Sr1—O9	129.86 (8)
O22^xv—Ti3—O19^xv	81.71 (11)	O5—Sr1—O10	131.65 (7)
O1—Ti3—Fe10^ii	97.13 (9)	O4—Sr1—O10	94.50 (7)
O5—Ti3—Fe10^ii	41.51 (7)	O9—Sr1—O10	63.01 (7)
O6^iv—Ti3—Fe10^ii	132.91 (9)	O5—Sr1—O14	68.14 (7)
O20^ii—Ti3—Fe10^ii	40.31 (7)	O4—Sr1—O14	65.71 (8)
O22^xv—Ti3—Fe10^ii	127.90 (8)	O9—Sr1—O14	64.15 (7)
O19^xv—Ti3—Fe10^ii	91.52 (8)	O10—Sr1—O14	63.97 (7)
O1—Ti3—Ti10^ii	97.13 (9)	O5—Sr1—O2^iv	113.94 (7)
O5—Ti3—Ti10^ii	41.51 (7)	O4—Sr1—O2^iv	117.25 (8)
O6^iv—Ti3—Ti10^ii	132.91 (9)	O9—Sr1—O2^iv	112.85 (8)
O20^ii—Ti3—Ti10^ii	40.31 (7)	O10—Sr1—O2^iv	113.60 (7)
O22^xv—Ti3—Ti10^ii	127.90 (8)	O14—Sr1—O2^iv	176.65 (7)
O19^xv—Ti3—Ti10^ii	91.52 (8)	O5—Sr1—O3^iv	93.99 (8)
Fe10^ii—Ti3—Ti10^ii	0.00 (3)	O4—Sr1—O3^iv	60.29 (8)
O1—Ti3—Fe9^xv	131.90 (9)	O9—Sr1—O3^iv	169.84 (8)
O5—Ti3—Fe9^xv	131.64 (8)	O10—Sr1—O3^iv	119.11 (8)
O6^iv—Ti3—Fe9^xv	88.54 (8)	O14—Sr1—O3^iv	126.00 (8)
O20^ii—Ti3—Fe9^xv	89.28 (8)	O2^iv—Sr1—O3^iv	56.99 (8)
O22^xv—Ti3—Fe9^xv	40.31 (8)	O5—Sr1—O1	61.36 (7)
O19^xv—Ti3—Fe9^xv	41.44 (7)	O4—Sr1—O1	131.40 (7)
Fe10^ii—Ti3—Fe9^xv	116.65 (3)	O9—Sr1—O1	63.11 (7)
Ti10^ii—Ti3—Fe9^xv	116.65 (3)	O10—Sr1—O1	124.28 (7)
O1—Ti3—Ti9^xv	131.90 (9)	O14—Sr1—O1	103.36 (7)
O5—Ti3—Ti9^xv	131.64 (8)	O2^iv—Sr1—O1	75.95 (7)
O6^iv—Ti3—Ti9^xv	88.54 (8)	O3^iv—Sr1—O1	111.58 (7)
O20^ii—Ti3—Ti9^xv	89.28 (8)	O5—Sr1—O3	131.91 (8)
O22^xv—Ti3—Ti9^xv	40.31 (8)	O4—Sr1—O3	60.98 (7)
O19^xv—Ti3—Ti9^xv	41.44 (7)	O9—Sr1—O3	123.14 (7)
Fe10^ii—Ti3—Ti9^xv	116.65 (3)	O10—Sr1—O3	60.40 (7)
Ti10^ii—Ti3—Ti9^xv	116.65 (3)	O14—Sr1—O3	95.07 (7)
Fe9^xv—Ti3—Ti9^xv	0.00 (3)	O2^iv—Sr1—O3	85.38 (8)
O2—Ti4—O10	99.99 (11)	O3^iv—Sr1—O3	58.95 (10)
O2—Ti4—O8	97.24 (11)	O1—Sr1—O3	161.01 (8)
O10—Ti4—O8	96.26 (10)	O5—Sr1—O6^iv	58.54 (7)
O2—Ti4—O7	165.64 (11)	O4—Sr1—O6^iv	91.35 (8)
O10—Ti4—O7	91.25 (10)	O9—Sr1—O6^iv	118.88 (7)
O8—Ti4—O7	90.32 (11)	O10—Sr1—O6^iv	169.58 (7)
O2—Ti4—O3	88.21 (12)	O14—Sr1—O6^iv	126.42 (7)
O10—Ti4—O3	89.56 (10)	O2^iv—Sr1—O6^iv	55.98 (7)
O8—Ti4—O3	171.20 (11)	O3^iv—Sr1—O6^iv	57.06 (8)
O7—Ti4—O3	82.94 (11)	O1—Sr1—O6^iv	55.85 (7)
O2—Ti4—O6	88.56 (11)	O3—Sr1—O6^iv	115.77 (7)
O10—Ti4—O6	169.95 (10)	O5—Sr1—O18^iii	116.87 (7)
O8—Ti4—O6	87.82 (11)	O4—Sr1—O18^iii	170.04 (7)
O7—Ti4—O6	79.52 (10)	O9—Sr1—O18^iii	58.07 (7)
O3—Ti4—O6	85.40 (11)	O10—Sr1—O18^iii	84.24 (7)
O2—Ti4—Ti6	129.90 (8)	O14—Sr1—O18^iii	121.85 (7)
O10—Ti4—Ti6	129.61 (7)	O2^iv—Sr1—O18^iii	55.01 (7)
O8—Ti4—Ti6	85.33 (7)	O3^iv—Sr1—O18^iii	111.79 (7)
O7—Ti4—Ti6	38.38 (7)	O1—Sr1—O18^iii	55.67 (7)
O3—Ti4—Ti6	85.88 (8)	O3—Sr1—O18^iii	110.28 (7)
O6—Ti4—Ti6	41.40 (8)	O6^iv—Sr1—O18^iii	88.51 (7)
O2—Ti4—Fe7^v	132.59 (9)	O5—Sr1—O2	168.29 (7)
O10—Ti4—Fe7^v	86.47 (7)	O4—Sr1—O2	114.52 (7)
O8—Ti4—Fe7^v	128.96 (8)	O9—Sr1—O2	92.64 (7)
O7—Ti4—Fe7^v	38.65 (7)	O10—Sr1—O2	59.45 (7)
O3—Ti4—Fe7^v	44.63 (8)	O14—Sr1—O2	123.30 (7)
O6—Ti4—Fe7^v	83.83 (8)	O2^iv—Sr1—O2	54.51 (9)
Ti6—Ti4—Fe7^v	56.48 (2)	O3^iv—Sr1—O2	81.03 (7)
O2—Ti4—Ti7^v	132.59 (9)	O1—Sr1—O2	110.52 (7)
O10—Ti4—Ti7^v	86.47 (7)	O3—Sr1—O2	53.84 (7)
O8—Ti4—Ti7^v	128.96 (8)	O6^iv—Sr1—O2	110.22 (7)
O7—Ti4—Ti7^v	38.65 (7)	O18^iii—Sr1—O2	56.46 (7)
O3—Ti4—Ti7^v	44.63 (8)	O5—Sr1—Li2^v	36.99 (11)
O6—Ti4—Ti7^v	83.83 (8)	O4—Sr1—Li2^v	36.44 (11)
Ti6—Ti4—Ti7^v	56.48 (2)	O9—Sr1—Li2^v	121.54 (11)
Fe7^v—Ti4—Ti7^v	0.00 (2)	O10—Sr1—Li2^v	124.84 (11)
O1—Ti5—O13^ii	99.71 (11)	O14—Sr1—Li2^v	70.87 (12)
O1—Ti5—O9	97.66 (11)	O2^iv—Sr1—Li2^v	112.41 (12)
O13^ii—Ti5—O9	95.14 (10)	O3^iv—Sr1—Li2^v	66.36 (12)
O1—Ti5—O14^iii	162.76 (11)	O1—Sr1—Li2^v	95.01 (11)
O13^ii—Ti5—O14^iii	93.16 (10)	O3—Sr1—Li2^v	95.34 (11)
O9—Ti5—O14^iii	92.51 (10)	O6^iv—Sr1—Li2^v	63.95 (11)
O1—Ti5—O22^iii	86.46 (11)	O18^iii—Sr1—Li2^v	148.92 (11)
O13^ii—Ti5—O22^iii	89.01 (10)	O2—Sr1—Li2^v	144.42 (11)
O9—Ti5—O22^iii	173.56 (10)	O5—Sr1—Ti1	99.95 (6)
O14^iii—Ti5—O22^iii	82.32 (10)	O4—Sr1—Ti1	36.03 (5)
O1—Ti5—O18^iii	87.73 (10)	O9—Sr1—Ti1	152.27 (5)
O13^ii—Ti5—O18^iii	171.78 (10)	O10—Sr1—Ti1	91.39 (5)
O9—Ti5—O18^iii	87.25 (10)	O14—Sr1—Ti1	96.10 (5)
O14^iii—Ti5—O18^iii	78.86 (10)	O2^iv—Sr1—Ti1	86.18 (6)
O22^iii—Ti5—O18^iii	87.97 (10)	O3^iv—Sr1—Ti1	34.97 (5)
O1—Ti5—Fe9^iii	128.37 (8)	O1—Sr1—Ti1	144.04 (5)
O13^ii—Ti5—Fe9^iii	87.24 (7)	O3—Sr1—Ti1	34.93 (5)
O9—Ti5—Fe9^iii	132.89 (8)	O6^iv—Sr1—Ti1	88.27 (5)
O14^iii—Ti5—Fe9^iii	40.43 (7)	O18^iii—Sr1—Ti1	134.03 (5)
O22^iii—Ti5—Fe9^iii	42.25 (7)	O2—Sr1—Ti1	82.08 (5)
O18^iii—Ti5—Fe9^iii	85.39 (7)	Li2^v—Sr1—Ti1	63.15 (9)
O1—Ti5—Ti9^iii	128.37 (8)	O5—Sr1—Ti3	34.79 (6)
O13^ii—Ti5—Ti9^iii	87.24 (7)	O4—Sr1—Ti3	98.59 (5)
O9—Ti5—Ti9^iii	132.89 (8)	O9—Sr1—Ti3	89.22 (5)
O14^iii—Ti5—Ti9^iii	40.43 (7)	O10—Sr1—Ti3	151.30 (5)
O22^iii—Ti5—Ti9^iii	42.25 (7)	O14—Sr1—Ti3	98.60 (5)
O18^iii—Ti5—Ti9^iii	85.39 (7)	O2^iv—Sr1—Ti3	82.66 (5)
Fe9^iii—Ti5—Ti9^iii	0.00 (2)	O3^iv—Sr1—Ti3	89.51 (6)
O1—Ti5—Ti11^iii	125.79 (8)	O1—Sr1—Ti3	33.77 (5)
O13^ii—Ti5—Ti11^iii	133.78 (8)	O3—Sr1—Ti3	147.60 (6)
O9—Ti5—Ti11^iii	87.12 (7)	O6^iv—Sr1—Ti3	34.85 (5)
O14^iii—Ti5—Ti11^iii	40.66 (7)	O18^iii—Sr1—Ti3	86.95 (5)
O22^iii—Ti5—Ti11^iii	86.45 (7)	O2—Sr1—Ti3	134.00 (5)
O18^iii—Ti5—Ti11^iii	38.35 (7)	Li2^v—Sr1—Ti3	62.31 (10)
Fe9^iii—Ti5—Ti11^iii	59.77 (2)	Ti1—Sr1—Ti3	114.00 (2)

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