Structure and properties of Na5FeSi4O12 crystallized from 5Na2O–Fe2O3–8SiO2 glass

Ahmadzadeh, M.; Olds, T.A.; Scrimshire, A.; Bingham, P.A.; McCloy, J.S.

doi:10.1107/S2053229618014353

Structure and properties of Na₅FeSi₄O₁₂ crystallized from 5Na₂O–Fe₂O₃–8SiO₂ glass

M. Ahmadzadeh, T. A. Olds, A. Scrimshire, P. A. Bingham and J. S. McCloy

The phase Na₅FeSi₄O₁₂ [pentasodium iron(III) silicate] crystallizes readily from the Na₂O–Fe₂O₃–SiO₂ glass system in a relatively large compositional range. However, its crystal structure and properties have not been studied in detail since its discovery in 1930. In this work, the Na₅FeSi₄O₁₂ phase was crystallized from a host glass with 5Na₂O·Fe₂O₃·8SiO₂ stoichiometry, and both the glass and the crystal were studied. It was found that the Na₅FeSi₄O₁₂ phase crystallizes at ∼720 °C from the glass and melts at ∼830 °C when heated at a rate of 10 °C min⁻¹. The crystal structure was solved using single-crystal X-ray diffraction and the refined data are reported for the first time for the Na₅FeSi₄O₁₂ phase. It exhibits trigonal symmetry, space group R $\overline{3}$ c, with a = 21.418 and c = 12.2911 Å. The Na atoms located between adjacent structural channels exhibit positional disorder and splitting which was only refined by using low-temperature data collection (150 K). While ∼7% of the total Fe cations occur as Fe²⁺ in the glass, four-coordinated Fe³⁺ constitutes ∼93% of the total Fe cations. However, iron in the crystal, which exhibits a paramagnetic behavior, is solely present as six-coordinated Fe³⁺. The magnetic and vibrational properties of the glass and crystal are discussed to provide additional insight into the structure.

Keywords: Na₅FeSi₄O₁₂; crystal structure; Raman; glass; Mössbauer.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229618014353/fn3279sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S2053229618014353/fn3279Isup2.hkl Contains datablock I

CCDC reference: 1872659

Computing details top

Data collection: APEX2 (Bruker, 2014); cell refinement: APEX2 (Bruker, 2014); data reduction: APEX2 (Bruker, 2014) and SAINT (Bruker, 2014); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2015b); molecular graphics: CrystalMaker (CrystalMaker, 2018); software used to prepare material for publication: SHELXL2013 (Sheldrick, 2015a).

Pentasodium iron(III) silicate top

Crystal data top

Na₅FeSi₄O₁₂	D_x = 2.903 Mg m⁻³
M_r = 474.27	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3c	Cell parameters from 4854 reflections
a = 21.418 (3) Å	θ = 3.3–30.7°
c = 12.2911 (18) Å	µ = 2.10 mm⁻¹
V = 4883.0 (16) Å³	T = 150 K
Z = 18	Plate, red orange
F(000) = 4186	0.02 × 0.01 × 0.003 mm

Data collection top

Bruker SMART APEXII three-circle diffractometer	892 reflections with I > 2σ(I)
Radiation source: X-ray tube	R_int = 0.069
ω scans	θ_max = 26.4°, θ_min = 3.3°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	h = −26→26
T_min = 0.640, T_max = 0.746	k = −26→26
15291 measured reflections	l = −15→15
1108 independent reflections

Refinement top

Refinement on F²	118 parameters
Least-squares matrix: full	0 restraints
R[F² > 2σ(F²)] = 0.019	w = 1/[σ²(F_o²) + (0.022P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.046	(Δ/σ)_max < 0.001
S = 1.01	Δρ_max = 0.37 e Å⁻³
1108 reflections	Δρ_min = −0.35 e Å⁻³

Special details top

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

Refinement. A thin plate exhibiting sharp extinction under cross polarized light was selected and mounted on a Mitegen cryoloop for the single crystal X-ray diffraction experiment at 150 (2) K. Data were collected using Mo Kα X-rays and an Apex II CCD-based detectormounted to a Bruker Smart Apex II three-circle diffractometer. Reflections were integrated and corrected for Lorentz, polarization, and background effects using the Bruker program SAINT. A multi-scan semi-empirical absorption correction was applied using equivalent reflections in SADABS-2015. An initial structure model was obtained by the charge-flipping method using SHELXT (Sheldrick, 2015a), and refinements were made by full-matrix least-squares on F² using SHELXL-2013 (Sheldrick, 2015b).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Fe1	0.6667	0.08597 (2)	0.0833	0.00531 (12)
Si1	0.77731 (3)	0.01612 (3)	0.01782 (5)	0.00555 (15)
Si2	0.90941 (3)	0.09550 (3)	−0.12341 (5)	0.00597 (14)
Na1	1.0000	0.0000	−0.2500	0.0053 (4)
Na2	1.0000	0.0000	0.0000	0.0091 (4)
Na3	0.92352 (5)	0.06573 (5)	−0.36144 (7)	0.0119 (2)
Na4	0.61847 (6)	−0.04819 (6)	−0.0833	0.0143 (3)
Na5	0.8333	0.1667	0.1667	0.0318 (11)	0.682 (7)
Na51	0.8493 (4)	0.1771 (4)	0.0653 (13)	0.008 (3)*	0.144 (9)
Na52	0.8512 (3)	0.1796 (4)	0.0211 (14)	0.004 (3)*	0.145 (10)
Na53	0.840 (5)	0.168 (5)	−0.031 (11)	0.04 (3)*	0.017 (7)
O1	0.95460 (8)	0.05533 (8)	−0.13075 (13)	0.0122 (4)
O2	0.73849 (8)	−0.02816 (8)	−0.08974 (13)	0.0097 (3)
O3	0.85626 (8)	0.07936 (8)	−0.22531 (13)	0.0093 (3)
O4	0.96207 (8)	0.18437 (8)	−0.11467 (13)	0.0094 (3)
O5	0.86316 (8)	0.07307 (8)	−0.00744 (13)	0.0111 (4)
O6	0.74346 (9)	0.05886 (9)	0.07485 (13)	0.0126 (4)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Fe1	0.0050 (2)	0.00458 (17)	0.0065 (2)	0.00249 (11)	0.00023 (18)	0.00011 (9)
Si1	0.0051 (3)	0.0058 (3)	0.0064 (3)	0.0032 (2)	0.0002 (2)	0.0006 (2)
Si2	0.0048 (3)	0.0050 (3)	0.0072 (3)	0.0018 (2)	−0.0008 (2)	−0.0005 (2)
Na1	0.0053 (6)	0.0053 (6)	0.0051 (10)	0.0027 (3)	0.000	0.000
Na2	0.0093 (7)	0.0093 (7)	0.0088 (11)	0.0046 (3)	0.000	0.000
Na3	0.0130 (5)	0.0099 (5)	0.0137 (5)	0.0065 (4)	0.0023 (4)	0.0013 (4)
Na4	0.0131 (5)	0.0131 (5)	0.0127 (7)	0.0035 (6)	0.0033 (3)	−0.0033 (3)
Na5	0.0230 (14)	0.0087 (12)	0.061 (2)	0.0058 (10)	−0.0258 (13)	−0.0051 (11)
O1	0.0104 (8)	0.0089 (8)	0.0177 (9)	0.0052 (7)	−0.0015 (7)	−0.0021 (7)
O2	0.0092 (8)	0.0085 (8)	0.0090 (9)	0.0026 (6)	−0.0007 (6)	0.0010 (6)
O3	0.0057 (8)	0.0088 (8)	0.0110 (9)	0.0016 (6)	−0.0014 (6)	−0.0005 (7)
O4	0.0103 (8)	0.0062 (8)	0.0081 (9)	0.0015 (7)	−0.0006 (6)	0.0003 (6)
O5	0.0067 (8)	0.0141 (9)	0.0088 (9)	0.0023 (7)	−0.0004 (6)	0.0002 (7)
O6	0.0158 (9)	0.0178 (9)	0.0118 (9)	0.0139 (8)	0.0011 (7)	0.0006 (7)

Geometric parameters (Å, º) top

Fe1—O6	2.0021 (16)	Na4—O6^xv	2.4139 (16)
Fe1—O6ⁱ	2.0022 (16)	Na4—O4^xvi	2.5162 (18)
Fe1—O3ⁱⁱ	2.0333 (15)	Na4—O4^xvii	2.5163 (18)
Fe1—O3ⁱⁱⁱ	2.0334 (15)	Na4—Na51^iv	2.953 (7)
Fe1—O2ⁱⁱⁱ	2.0378 (16)	Na4—Na51^xviii	2.953 (7)
Fe1—O2ⁱⁱ	2.0379 (16)	Na4—Na52^iv	2.996 (8)
Fe1—Na4	3.2486 (9)	Na4—Na52^xviii	2.996 (8)
Fe1—Na4ⁱⁱ	3.2486 (9)	Na4—Si1ⁱ	3.0967 (9)
Fe1—Na5	3.2572 (4)	Na4—Si1^xv	3.0968 (9)
Fe1—Na5ⁱ	3.2572 (4)	Na5—Na51^xix	1.282 (16)
Fe1—Na51ⁱ	3.395 (7)	Na5—Na51	1.282 (16)
Fe1—Na51	3.396 (7)	Na5—Na52	1.822 (17)
Si1—O6	1.5870 (16)	Na5—Na52^xix	1.822 (17)
Si1—O2	1.5968 (17)	Na5—O6^xix	2.4218 (18)
Si1—O5	1.6501 (17)	Na5—O6	2.4218 (17)
Si1—O4^iv	1.6635 (17)	Na5—Na53	2.43 (13)
Si1—Na53	2.89 (8)	Na5—Na53^xix	2.43 (13)
Si1—Na52	3.038 (7)	Na5—O3^v	2.5336 (16)
Si1—Na51	3.048 (7)	Na5—O3ⁱⁱⁱ	2.5336 (16)
Si1—Na4ⁱⁱ	3.0968 (9)	Na5—O2^xii	2.7383 (16)
Si1—Na52^iv	3.136 (7)	Na5—O2ⁱⁱ	2.7383 (16)
Si1—Na4	3.2140 (12)	Na51—Na52	0.546 (11)
Si1—Na53^iv	3.28 (9)	Na51—Na53	1.19 (13)
Si1—Na3^v	3.2908 (11)	Na51—O2^xii	2.295 (7)
Si2—O1	1.5868 (16)	Na51—O3ⁱⁱⁱ	2.359 (7)
Si2—O3	1.6095 (17)	Na51—O6	2.414 (7)
Si2—O4	1.6614 (16)	Na51—Na53ⁱⁱⁱ	2.49 (13)
Si2—O5	1.6636 (18)	Na51—O5	2.552 (8)
Si2—Na53ⁱⁱⁱ	2.84 (8)	Na51—Na51^xix	2.56 (3)
Si2—Na53	2.86 (9)	Na51—O4ⁱⁱⁱ	2.899 (11)
Si2—Na52ⁱⁱⁱ	2.944 (8)	Na51—Na4^xii	2.953 (7)
Si2—Na3	3.0413 (11)	Na52—Na53	0.68 (13)
Si2—Na3^vi	3.0601 (12)	Na52—Na53ⁱⁱⁱ	1.96 (13)
Si2—Na51ⁱⁱⁱ	3.141 (9)	Na52—O2^xii	2.396 (9)
Si2—Na52	3.194 (11)	Na52—O3ⁱⁱⁱ	2.411 (7)
Si2—Na3^vii	3.2032 (12)	Na52—O5	2.446 (7)
Na1—O1^viii	2.3770 (15)	Na52—O6	2.546 (8)
Na1—O1	2.3771 (15)	Na52—Na52ⁱⁱⁱ	2.57 (3)
Na1—O1^vi	2.3771 (15)	Na52—O4ⁱⁱⁱ	2.639 (8)
Na1—O1^ix	2.3771 (15)	Na52—O4	2.862 (11)
Na1—O1^x	2.3771 (15)	Na52—Si2ⁱⁱⁱ	2.944 (8)
Na1—O1^vii	2.3771 (15)	Na53—Na53ⁱⁱⁱ	1.3 (3)
Na1—Na3	2.9745 (9)	Na53—Na52ⁱⁱⁱ	1.96 (13)
Na1—Na3^vii	2.9746 (9)	Na53—O5	2.33 (8)
Na1—Na3^ix	2.9746 (9)	Na53—Na51ⁱⁱⁱ	2.49 (13)
Na1—Na3^x	2.9746 (9)	Na53—O3ⁱⁱⁱ	2.54 (9)
Na1—Na3^vi	2.9746 (9)	Na53—O6	2.57 (8)
Na1—Na3^viii	2.9746 (9)	Na53—O4ⁱⁱⁱ	2.64 (8)
Na2—O1^xi	2.4667 (16)	Na53—O4	2.66 (8)
Na2—O1^xii	2.4668 (16)	Na53—Si2ⁱⁱⁱ	2.84 (8)
Na2—O1^ix	2.4668 (16)	O1—Na3^vii	2.3300 (18)
Na2—O1	2.4668 (16)	O1—Na3^vi	2.3783 (18)
Na2—O1^iv	2.4668 (16)	O2—Fe1^xv	2.0378 (16)
Na2—O1^x	2.4668 (16)	O2—Na51^iv	2.295 (7)
Na2—Na1^xi	3.0728 (5)	O2—Na52^iv	2.396 (9)
Na2—Na3^vi	3.1421 (9)	O2—Na5^xv	2.7383 (16)
Na2—Na3^xiii	3.1421 (9)	O2—Na53^iv	2.85 (12)
Na2—Na3^v	3.1421 (9)	O3—Fe1^xv	2.0333 (15)
Na2—Na3^viii	3.1421 (9)	O3—Na51ⁱⁱⁱ	2.359 (7)
Na3—O3	2.3195 (18)	O3—Na52ⁱⁱⁱ	2.411 (7)
Na3—O1^vii	2.3299 (18)	O3—Na5ⁱⁱⁱ	2.5336 (16)
Na3—O5^xiv	2.3311 (18)	O3—Na53ⁱⁱⁱ	2.54 (9)
Na3—O1^vi	2.3781 (18)	O4—Si1^xii	1.6634 (17)
Na3—O1	2.9462 (19)	O4—Na4^xx	2.5162 (18)
Na3—O4^vii	3.0198 (18)	O4—Na53ⁱⁱⁱ	2.64 (8)
Na3—Si2^vi	3.0601 (12)	O4—Na52ⁱⁱⁱ	2.639 (8)
Na3—Na2^viii	3.1420 (9)	O4—Na51ⁱⁱⁱ	2.899 (11)
Na3—Si2^vii	3.2032 (12)	O4—Na3^vii	3.0198 (18)
Na3—Si1^xiv	3.2908 (11)	O5—Na3^v	2.3310 (18)
Na4—O2	2.3864 (18)	O5—Na53ⁱⁱⁱ	2.97 (10)
Na4—O2ⁱⁱⁱ	2.3865 (18)	O6—Na4ⁱⁱ	2.4139 (16)
Na4—O6ⁱ	2.4138 (16)

O6—Fe1—O6ⁱ	91.02 (10)	Na51^xviii—Na4—Na52^iv	157.39 (16)
O6—Fe1—O3ⁱⁱ	174.17 (6)	O2—Na4—Na52^xviii	146.93 (19)
O6ⁱ—Fe1—O3ⁱⁱ	87.09 (7)	O2ⁱⁱⁱ—Na4—Na52^xviii	51.36 (15)
O6—Fe1—O3ⁱⁱⁱ	87.09 (7)	O6ⁱ—Na4—Na52^xviii	78.4 (3)
O6ⁱ—Fe1—O3ⁱⁱⁱ	174.17 (6)	O6^xv—Na4—Na52^xviii	101.8 (3)
O3ⁱⁱ—Fe1—O3ⁱⁱⁱ	95.32 (9)	O4^xvi—Na4—Na52^xviii	56.4 (2)
O6—Fe1—O2ⁱⁱⁱ	97.56 (6)	O4^xvii—Na4—Na52^xviii	108.5 (2)
O6ⁱ—Fe1—O2ⁱⁱⁱ	82.39 (6)	Na51^iv—Na4—Na52^xviii	157.40 (16)
O3ⁱⁱ—Fe1—O2ⁱⁱⁱ	87.66 (6)	Na51^xviii—Na4—Na52^xviii	10.5 (2)
O3ⁱⁱⁱ—Fe1—O2ⁱⁱⁱ	92.39 (6)	Na52^iv—Na4—Na52^xviii	160.4 (2)
O6—Fe1—O2ⁱⁱ	82.39 (6)	O2—Na4—Si1ⁱ	109.99 (4)
O6ⁱ—Fe1—O2ⁱⁱ	97.56 (6)	O2ⁱⁱⁱ—Na4—Si1ⁱ	97.53 (4)
O3ⁱⁱ—Fe1—O2ⁱⁱ	92.39 (6)	O6ⁱ—Na4—Si1ⁱ	30.37 (4)
O3ⁱⁱⁱ—Fe1—O2ⁱⁱ	87.66 (6)	O6^xv—Na4—Si1ⁱ	150.26 (6)
O2ⁱⁱⁱ—Fe1—O2ⁱⁱ	179.92 (9)	O4^xvi—Na4—Si1ⁱ	108.68 (6)
O6—Fe1—Na4	69.78 (5)	O4^xvii—Na4—Si1ⁱ	32.43 (4)
O6ⁱ—Fe1—Na4	47.81 (5)	Na51^iv—Na4—Si1ⁱ	87.7 (3)
O3ⁱⁱ—Fe1—Na4	112.56 (5)	Na51^xviii—Na4—Si1ⁱ	84.7 (3)
O3ⁱⁱⁱ—Fe1—Na4	126.43 (5)	Na52^iv—Na4—Si1ⁱ	78.0 (3)
O2ⁱⁱⁱ—Fe1—Na4	47.11 (5)	Na52^xviii—Na4—Si1ⁱ	94.6 (3)
O2ⁱⁱ—Fe1—Na4	132.81 (5)	O2—Na4—Si1^xv	97.52 (4)
O6—Fe1—Na4ⁱⁱ	47.82 (5)	O2ⁱⁱⁱ—Na4—Si1^xv	109.99 (4)
O6ⁱ—Fe1—Na4ⁱⁱ	69.78 (5)	O6ⁱ—Na4—Si1^xv	150.26 (6)
O3ⁱⁱ—Fe1—Na4ⁱⁱ	126.43 (5)	O6^xv—Na4—Si1^xv	30.37 (4)
O3ⁱⁱⁱ—Fe1—Na4ⁱⁱ	112.56 (5)	O4^xvi—Na4—Si1^xv	32.43 (4)
O2ⁱⁱⁱ—Fe1—Na4ⁱⁱ	132.81 (5)	O4^xvii—Na4—Si1^xv	108.68 (6)
O2ⁱⁱ—Fe1—Na4ⁱⁱ	47.11 (5)	Na51^iv—Na4—Si1^xv	84.7 (3)
Na4—Fe1—Na4ⁱⁱ	86.946 (16)	Na51^xviii—Na4—Si1^xv	87.7 (3)
O6—Fe1—Na5	47.85 (5)	Na52^iv—Na4—Si1^xv	94.6 (3)
O6ⁱ—Fe1—Na5	130.29 (5)	Na52^xviii—Na4—Si1^xv	78.0 (3)
O3ⁱⁱ—Fe1—Na5	130.68 (5)	Si1ⁱ—Na4—Si1^xv	135.81 (5)
O3ⁱⁱⁱ—Fe1—Na5	51.06 (5)	Na51^xix—Na5—Na51	180.0
O2ⁱⁱⁱ—Fe1—Na5	123.17 (4)	Na51^xix—Na5—Na52	177.1 (4)
O2ⁱⁱ—Fe1—Na5	56.83 (4)	Na51—Na5—Na52	2.9 (4)
Na4—Fe1—Na5	116.582 (17)	Na51^xix—Na5—Na52^xix	2.9 (4)
Na4ⁱⁱ—Fe1—Na5	61.832 (15)	Na51—Na5—Na52^xix	177.1 (4)
O6—Fe1—Na5ⁱ	130.30 (5)	Na52—Na5—Na52^xix	180.0
O6ⁱ—Fe1—Na5ⁱ	47.85 (5)	Na51^xix—Na5—O6^xix	74.3 (3)
O3ⁱⁱ—Fe1—Na5ⁱ	51.06 (5)	Na51—Na5—O6^xix	105.7 (3)
O3ⁱⁱⁱ—Fe1—Na5ⁱ	130.68 (5)	Na52—Na5—O6^xix	107.8 (2)
O2ⁱⁱⁱ—Fe1—Na5ⁱ	56.82 (4)	Na52^xix—Na5—O6^xix	72.2 (2)
O2ⁱⁱ—Fe1—Na5ⁱ	123.17 (4)	Na51^xix—Na5—O6	105.7 (3)
Na4—Fe1—Na5ⁱ	61.832 (15)	Na51—Na5—O6	74.3 (3)
Na4ⁱⁱ—Fe1—Na5ⁱ	116.542 (17)	Na52—Na5—O6	72.2 (2)
Na5—Fe1—Na5ⁱ	178.070 (16)	Na52^xix—Na5—O6	107.8 (2)
O6—Fe1—Na51ⁱ	135.44 (12)	O6^xix—Na5—O6	180.0
O6ⁱ—Fe1—Na51ⁱ	44.42 (12)	Na51^xix—Na5—Na53	169 (2)
O3ⁱⁱ—Fe1—Na51ⁱ	43.00 (13)	Na51—Na5—Na53	11 (2)
O3ⁱⁱⁱ—Fe1—Na51ⁱ	137.13 (12)	Na52—Na5—Na53	8 (2)
O2ⁱⁱⁱ—Fe1—Na51ⁱ	78.9 (3)	Na52^xix—Na5—Na53	172 (2)
O2ⁱⁱ—Fe1—Na51ⁱ	101.1 (3)	O6^xix—Na5—Na53	116 (2)
Na4—Fe1—Na51ⁱ	76.4 (2)	O6—Na5—Na53	64 (2)
Na4ⁱⁱ—Fe1—Na51ⁱ	103.45 (19)	Na51^xix—Na5—Na53^xix	11 (2)
Na5—Fe1—Na51ⁱ	157.9 (3)	Na51—Na5—Na53^xix	169 (2)
Na5ⁱ—Fe1—Na51ⁱ	22.1 (3)	Na52—Na5—Na53^xix	172 (2)
O6—Fe1—Na51	44.42 (12)	Na52^xix—Na5—Na53^xix	8 (2)
O6ⁱ—Fe1—Na51	135.44 (12)	O6^xix—Na5—Na53^xix	64 (2)
O3ⁱⁱ—Fe1—Na51	137.14 (12)	O6—Na5—Na53^xix	116 (2)
O3ⁱⁱⁱ—Fe1—Na51	43.00 (13)	Na53—Na5—Na53^xix	180.0
O2ⁱⁱⁱ—Fe1—Na51	101.1 (3)	Na51^xix—Na5—O3^v	67.4 (3)
O2ⁱⁱ—Fe1—Na51	78.9 (3)	Na51—Na5—O3^v	112.6 (3)
Na4—Fe1—Na51	103.45 (19)	Na52—Na5—O3^v	115.2 (2)
Na4ⁱⁱ—Fe1—Na51	76.5 (2)	Na52^xix—Na5—O3^v	64.8 (2)
Na5—Fe1—Na51	22.1 (3)	O6^xix—Na5—O3^v	68.21 (5)
Na5ⁱ—Fe1—Na51	157.9 (3)	O6—Na5—O3^v	111.79 (5)
Na51ⁱ—Fe1—Na51	179.9 (2)	Na53—Na5—O3^v	118.5 (19)
O6—Si1—O2	117.13 (9)	Na53^xix—Na5—O3^v	61.5 (19)
O6—Si1—O5	108.56 (9)	Na51^xix—Na5—O3ⁱⁱⁱ	112.6 (3)
O2—Si1—O5	109.88 (9)	Na51—Na5—O3ⁱⁱⁱ	67.4 (3)
O6—Si1—O4^iv	104.36 (9)	Na52—Na5—O3ⁱⁱⁱ	64.8 (2)
O2—Si1—O4^iv	111.19 (9)	Na52^xix—Na5—O3ⁱⁱⁱ	115.2 (2)
O5—Si1—O4^iv	104.93 (8)	O6^xix—Na5—O3ⁱⁱⁱ	111.79 (5)
O6—Si1—Na53	62.2 (19)	O6—Na5—O3ⁱⁱⁱ	68.21 (5)
O2—Si1—Na53	108 (3)	Na53—Na5—O3ⁱⁱⁱ	61.5 (19)
O5—Si1—Na53	53.7 (16)	Na53^xix—Na5—O3ⁱⁱⁱ	118.5 (19)
O4^iv—Si1—Na53	140 (3)	O3^v—Na5—O3ⁱⁱⁱ	180.0
O6—Si1—Na52	56.9 (2)	Na51^xix—Na5—O2^xii	123.5 (3)
O2—Si1—Na52	120.8 (3)	Na51—Na5—O2^xii	56.5 (3)
O5—Si1—Na52	53.47 (14)	Na52—Na5—O2^xii	59.4 (2)
O4^iv—Si1—Na52	127.7 (3)	Na52^xix—Na5—O2^xii	120.6 (2)
Na53—Si1—Na52	13 (3)	O6^xix—Na5—O2^xii	61.72 (5)
O6—Si1—Na51	51.81 (19)	O6—Na5—O2^xii	118.28 (5)
O2—Si1—Na51	130.5 (3)	Na53—Na5—O2^xii	67 (2)
O5—Si1—Na51	56.85 (17)	Na53^xix—Na5—O2^xii	113 (2)
O4^iv—Si1—Na51	118.3 (3)	O3^v—Na5—O2^xii	64.53 (5)
Na53—Si1—Na51	23 (3)	O3ⁱⁱⁱ—Na5—O2^xii	115.47 (5)
Na52—Si1—Na51	10.3 (2)	Na51^xix—Na5—O2ⁱⁱ	56.5 (3)
O6—Si1—Na4ⁱⁱ	50.28 (6)	Na51—Na5—O2ⁱⁱ	123.5 (3)
O2—Si1—Na4ⁱⁱ	128.99 (7)	Na52—Na5—O2ⁱⁱ	120.6 (2)
O5—Si1—Na4ⁱⁱ	121.02 (6)	Na52^xix—Na5—O2ⁱⁱ	59.4 (2)
O4^iv—Si1—Na4ⁱⁱ	54.21 (6)	O6^xix—Na5—O2ⁱⁱ	118.27 (5)
Na53—Si1—Na4ⁱⁱ	104 (2)	O6—Na5—O2ⁱⁱ	61.72 (5)
Na52—Si1—Na4ⁱⁱ	93.6 (3)	Na53—Na5—O2ⁱⁱ	113 (2)
Na51—Si1—Na4ⁱⁱ	84.0 (3)	Na53^xix—Na5—O2ⁱⁱ	67 (2)
O6—Si1—Na52^iv	115.86 (18)	O3^v—Na5—O2ⁱⁱ	115.47 (5)
O2—Si1—Na52^iv	48.4 (3)	O3ⁱⁱⁱ—Na5—O2ⁱⁱ	64.53 (5)
O5—Si1—Na52^iv	135.58 (18)	O2^xii—Na5—O2ⁱⁱ	180.0
O4^iv—Si1—Na52^iv	65.0 (3)	Na52—Na51—Na53	14 (4)
Na53—Si1—Na52^iv	155 (2)	Na52—Na51—Na5	170.1 (14)
Na52—Si1—Na52^iv	165.25 (15)	Na53—Na51—Na5	158 (4)
Na51—Si1—Na52^iv	167.25 (16)	Na52—Na51—O2^xii	94.1 (13)
Na4ⁱⁱ—Si1—Na52^iv	89.2 (3)	Na53—Na51—O2^xii	105 (4)
O6—Si1—Na4	74.17 (7)	Na5—Na51—O2^xii	95.7 (6)
O2—Si1—Na4	45.57 (6)	Na52—Na51—O3ⁱⁱⁱ	88.9 (12)
O5—Si1—Na4	142.52 (7)	Na53—Na51—O3ⁱⁱⁱ	84 (4)
O4^iv—Si1—Na4	110.55 (6)	Na5—Na51—O3ⁱⁱⁱ	82.5 (4)
Na53—Si1—Na4	102 (2)	O2^xii—Na51—O3ⁱⁱⁱ	146.7 (3)
Na52—Si1—Na4	109.19 (18)	Na52—Na51—O6	97.8 (13)
Na51—Si1—Na4	112.80 (15)	Na53—Na51—O6	84 (4)
Na4ⁱⁱ—Si1—Na4	90.18 (2)	Na5—Na51—O6	75.0 (4)
Na52^iv—Si1—Na4	56.28 (17)	O2^xii—Na51—O6	140.5 (4)
O6—Si1—Na53^iv	113.1 (15)	O3ⁱⁱⁱ—Na51—O6	71.24 (19)
O2—Si1—Na53^iv	60 (2)	Na52—Na51—Na53ⁱⁱⁱ	10 (2)
O5—Si1—Na53^iv	136.7 (14)	Na53—Na51—Na53ⁱⁱⁱ	7 (4)
O4^iv—Si1—Na53^iv	54 (2)	Na5—Na51—Na53ⁱⁱⁱ	160 (2)
Na53—Si1—Na53^iv	165.0 (19)	O2^xii—Na51—Na53ⁱⁱⁱ	104 (2)
Na52—Si1—Na53^iv	169.8 (14)	O3ⁱⁱⁱ—Na51—Na53ⁱⁱⁱ	82 (2)
Na51—Si1—Na53^iv	163.1 (18)	O6—Na51—Na53ⁱⁱⁱ	89 (2)
Na4ⁱⁱ—Si1—Na53^iv	80 (2)	Na52—Na51—O5	72.7 (11)
Na52^iv—Si1—Na53^iv	12 (2)	Na53—Na51—O5	66 (4)
Na4—Si1—Na53^iv	63.6 (19)	Na5—Na51—O5	109.0 (5)
O6—Si1—Na3^v	104.22 (7)	O2^xii—Na51—O5	84.4 (2)
O2—Si1—Na3^v	137.13 (7)	O3ⁱⁱⁱ—Na51—O5	127.7 (4)
O5—Si1—Na3^v	41.62 (6)	O6—Na51—O5	63.84 (17)
O4^iv—Si1—Na3^v	65.86 (6)	Na53ⁱⁱⁱ—Na51—O5	72.2 (19)
Na53—Si1—Na3^v	81 (2)	Na52—Na51—Na51^xix	170.1 (14)
Na52—Si1—Na3^v	72.56 (19)	Na53—Na51—Na51^xix	158 (4)
Na51—Si1—Na3^v	68.25 (16)	Na5—Na51—Na51^xix	0.003 (1)
Na4ⁱⁱ—Si1—Na3^v	85.85 (3)	O2^xii—Na51—Na51^xix	95.7 (6)
Na52^iv—Si1—Na3^v	122.13 (18)	O3ⁱⁱⁱ—Na51—Na51^xix	82.5 (4)
Na4—Si1—Na3^v	175.78 (3)	O6—Na51—Na51^xix	75.0 (4)
Na53^iv—Si1—Na3^v	114 (2)	Na53ⁱⁱⁱ—Na51—Na51^xix	160 (2)
O1—Si2—O3	113.39 (9)	O5—Na51—Na51^xix	109.0 (5)
O1—Si2—O4	112.09 (8)	Na52—Na51—O4ⁱⁱⁱ	56.6 (11)
O3—Si2—O4	107.36 (9)	Na53—Na51—O4ⁱⁱⁱ	65 (4)
O1—Si2—O5	109.19 (9)	Na5—Na51—O4ⁱⁱⁱ	121.4 (4)
O3—Si2—O5	110.47 (9)	O2^xii—Na51—O4ⁱⁱⁱ	95.5 (3)
O4—Si2—O5	103.92 (8)	O3ⁱⁱⁱ—Na51—O4ⁱⁱⁱ	59.1 (2)
O1—Si2—Na53ⁱⁱⁱ	173 (3)	O6—Na51—O4ⁱⁱⁱ	122.4 (4)
O3—Si2—Na53ⁱⁱⁱ	62 (2)	Na53ⁱⁱⁱ—Na51—O4ⁱⁱⁱ	58 (2)
O4—Si2—Na53ⁱⁱⁱ	65.6 (18)	O5—Na51—O4ⁱⁱⁱ	129.2 (6)
O5—Si2—Na53ⁱⁱⁱ	78 (3)	Na51^xix—Na51—O4ⁱⁱⁱ	121.4 (4)
O1—Si2—Na53	160 (3)	Na52—Na51—Na4^xii	89.3 (13)
O3—Si2—Na53	86 (3)	Na53—Na51—Na4^xii	103 (4)
O4—Si2—Na53	65.9 (18)	Na5—Na51—Na4^xii	96.2 (5)
O5—Si2—Na53	54.6 (19)	O2^xii—Na51—Na4^xii	52.29 (14)
Na53ⁱⁱⁱ—Si2—Na53	27 (5)	O3ⁱⁱⁱ—Na51—Na4^xii	94.7 (2)
O1—Si2—Na52ⁱⁱⁱ	159.7 (3)	O6—Na51—Na4^xii	164.0 (4)
O3—Si2—Na52ⁱⁱⁱ	54.9 (3)	Na53ⁱⁱⁱ—Na51—Na4^xii	97 (2)
O4—Si2—Na52ⁱⁱⁱ	62.86 (15)	O5—Na51—Na4^xii	132.1 (3)
O5—Si2—Na52ⁱⁱⁱ	91.0 (3)	Na51^xix—Na51—Na4^xii	96.2 (5)
Na53ⁱⁱⁱ—Si2—Na52ⁱⁱⁱ	13 (3)	O4ⁱⁱⁱ—Na51—Na4^xii	50.92 (14)
Na53—Si2—Na52ⁱⁱⁱ	39 (3)	Na52—Na51—Si1	83.8 (12)
O1—Si2—Na3	71.35 (6)	Na53—Na51—Si1	71 (4)
O3—Si2—Na3	48.71 (6)	Na5—Na51—Si1	92.8 (4)
O4—Si2—Na3	102.75 (6)	O2^xii—Na51—Si1	114.7 (2)
O5—Si2—Na3	150.56 (7)	O3ⁱⁱⁱ—Na51—Si1	98.6 (2)
Na53ⁱⁱⁱ—Si2—Na3	102 (3)	O6—Na51—Si1	31.11 (9)
Na53—Si2—Na3	129 (2)	Na53ⁱⁱⁱ—Na51—Si1	78 (2)
Na52ⁱⁱⁱ—Si2—Na3	90.2 (3)	O5—Na51—Si1	32.77 (9)
O1—Si2—Na3^vi	50.13 (6)	Na51^xix—Na51—Si1	92.8 (4)
O3—Si2—Na3^vi	83.84 (6)	O4ⁱⁱⁱ—Na51—Si1	132.2 (5)
O4—Si2—Na3^vi	162.21 (6)	Na4^xii—Na51—Si1	164.9 (4)
O5—Si2—Na3^vi	84.22 (6)	Na51—Na52—Na53	154 (7)
Na53ⁱⁱⁱ—Si2—Na3^vi	132.1 (17)	Na51—Na52—Na5	6.9 (10)
Na53—Si2—Na3^vi	130.1 (17)	Na53—Na52—Na5	149 (7)
Na52ⁱⁱⁱ—Si2—Na3^vi	133.69 (16)	Na51—Na52—Na53ⁱⁱⁱ	167 (3)
Na3—Si2—Na3^vi	73.90 (3)	Na53—Na52—Na53ⁱⁱⁱ	15 (6)
O1—Si2—Na51ⁱⁱⁱ	150.9 (3)	Na5—Na52—Na53ⁱⁱⁱ	161 (3)
O3—Si2—Na51ⁱⁱⁱ	47.0 (2)	Na51—Na52—O2^xii	72.8 (13)
O4—Si2—Na51ⁱⁱⁱ	66.15 (17)	Na53—Na52—O2^xii	126 (7)
O5—Si2—Na51ⁱⁱⁱ	99.0 (2)	Na5—Na52—O2^xii	79.7 (5)
Na53ⁱⁱⁱ—Si2—Na51ⁱⁱⁱ	22 (3)	Na53ⁱⁱⁱ—Na52—O2^xii	120 (3)
Na53—Si2—Na51ⁱⁱⁱ	49 (2)	Na51—Na52—O3ⁱⁱⁱ	78.1 (11)
Na52ⁱⁱⁱ—Si2—Na51ⁱⁱⁱ	9.6 (2)	Na53—Na52—O3ⁱⁱⁱ	93 (7)
Na3—Si2—Na51ⁱⁱⁱ	80.6 (3)	Na5—Na52—O3ⁱⁱⁱ	72.0 (4)
Na3^vi—Si2—Na51ⁱⁱⁱ	128.93 (18)	Na53ⁱⁱⁱ—Na52—O3ⁱⁱⁱ	93 (2)
O1—Si2—Na52	148.6 (3)	O2^xii—Na52—O3ⁱⁱⁱ	136.1 (6)
O3—Si2—Na52	96.9 (3)	Na51—Na52—O5	95.0 (12)
O4—Si2—Na52	63.29 (14)	Na53—Na52—O5	72 (7)
O5—Si2—Na52	48.9 (2)	Na5—Na52—O5	96.3 (4)
Na53ⁱⁱⁱ—Si2—Na52	37 (3)	Na53ⁱⁱⁱ—Na52—O5	84 (2)
Na53—Si2—Na52	11 (2)	O2^xii—Na52—O5	84.7 (2)
Na52ⁱⁱⁱ—Si2—Na52	49.4 (6)	O3ⁱⁱⁱ—Na52—O5	130.4 (3)
Na3—Si2—Na52	139.5 (3)	Na51—Na52—O6	69.9 (11)
Na3^vi—Si2—Na52	130.37 (16)	Na53—Na52—O6	84 (7)
Na51ⁱⁱⁱ—Si2—Na52	58.9 (5)	Na5—Na52—O6	64.9 (3)
O1—Si2—Na3^vii	43.70 (6)	Na53ⁱⁱⁱ—Na52—O6	99 (3)
O3—Si2—Na3^vii	125.56 (7)	O2^xii—Na52—O6	127.5 (5)
O4—Si2—Na3^vii	68.50 (6)	O3ⁱⁱⁱ—Na52—O6	68.2 (2)
O5—Si2—Na3^vii	123.43 (6)	O5—Na52—O6	63.50 (17)
Na53ⁱⁱⁱ—Si2—Na3^vii	133 (2)	Na51—Na52—Na52ⁱⁱⁱ	174.4 (13)
Na53—Si2—Na3^vii	131 (2)	Na53—Na52—Na52ⁱⁱⁱ	21 (7)
Na52ⁱⁱⁱ—Si2—Na3^vii	125.81 (16)	Na5—Na52—Na52ⁱⁱⁱ	167.5 (3)
Na3—Si2—Na3^vii	78.29 (3)	Na53ⁱⁱⁱ—Na52—Na52ⁱⁱⁱ	7 (3)
Na3^vi—Si2—Na3^vii	93.78 (3)	O2^xii—Na52—Na52ⁱⁱⁱ	112.8 (4)
Na51ⁱⁱⁱ—Si2—Na3^vii	123.48 (14)	O3ⁱⁱⁱ—Na52—Na52ⁱⁱⁱ	97.4 (5)
Na52—Si2—Na3^vii	123.12 (15)	O5—Na52—Na52ⁱⁱⁱ	85.4 (5)
O1^viii—Na1—O1	174.87 (8)	O6—Na52—Na52ⁱⁱⁱ	105.4 (4)
O1^viii—Na1—O1^vi	85.97 (6)	Na51—Na52—O4ⁱⁱⁱ	113.4 (13)
O1—Na1—O1^vi	97.65 (8)	Na53—Na52—O4ⁱⁱⁱ	82 (7)
O1^viii—Na1—O1^ix	97.65 (8)	Na5—Na52—O4ⁱⁱⁱ	112.3 (4)
O1—Na1—O1^ix	85.97 (6)	Na53ⁱⁱⁱ—Na52—O4ⁱⁱⁱ	69 (2)
O1^vi—Na1—O1^ix	90.65 (8)	O2^xii—Na52—O4ⁱⁱⁱ	100.2 (2)
O1^viii—Na1—O1^x	90.65 (8)	O3ⁱⁱⁱ—Na52—O4ⁱⁱⁱ	62.73 (16)
O1—Na1—O1^x	85.97 (6)	O5—Na52—O4ⁱⁱⁱ	151.4 (7)
O1^vi—Na1—O1^x	174.87 (8)	O6—Na52—O4ⁱⁱⁱ	128.1 (3)
O1^ix—Na1—O1^x	85.97 (6)	Na52ⁱⁱⁱ—Na52—O4ⁱⁱⁱ	66.6 (4)
O1^viii—Na1—O1^vii	85.97 (6)	Na51—Na52—O4	127.0 (12)
O1—Na1—O1^vii	90.65 (8)	Na53—Na52—O4	66 (7)
O1^vi—Na1—O1^vii	85.97 (6)	Na5—Na52—O4	133.2 (4)
O1^ix—Na1—O1^vii	174.87 (8)	Na53ⁱⁱⁱ—Na52—O4	63 (3)
O1^x—Na1—O1^vii	97.66 (8)	O2^xii—Na52—O4	60.77 (17)
O1^viii—Na1—Na3	114.51 (4)	O3ⁱⁱⁱ—Na52—O4	154.7 (7)
O1—Na1—Na3	65.71 (4)	O5—Na52—O4	58.5 (2)
O1^vi—Na1—Na3	51.29 (4)	O6—Na52—O4	120.1 (3)
O1^ix—Na1—Na3	124.81 (4)	Na52ⁱⁱⁱ—Na52—O4	57.8 (4)
O1^x—Na1—Na3	133.81 (4)	O4ⁱⁱⁱ—Na52—O4	99.2 (4)
O1^vii—Na1—Na3	50.11 (4)	Na51—Na52—Si2ⁱⁱⁱ	106.3 (12)
O1^viii—Na1—Na3^vii	124.81 (4)	Na53—Na52—Si2ⁱⁱⁱ	75 (7)
O1—Na1—Na3^vii	50.11 (4)	Na5—Na52—Si2ⁱⁱⁱ	101.5 (4)
O1^vi—Na1—Na3^vii	133.81 (4)	Na53ⁱⁱⁱ—Na52—Si2ⁱⁱⁱ	68 (2)
O1^ix—Na1—Na3^vii	114.51 (4)	O2^xii—Na52—Si2ⁱⁱⁱ	131.7 (3)
O1^x—Na1—Na3^vii	51.30 (4)	O3ⁱⁱⁱ—Na52—Si2ⁱⁱⁱ	33.12 (11)
O1^vii—Na1—Na3^vii	65.71 (4)	O5—Na52—Si2ⁱⁱⁱ	141.7 (5)
Na3—Na1—Na3^vii	83.05 (4)	O6—Na52—Si2ⁱⁱⁱ	94.0 (2)
O1^viii—Na1—Na3^ix	51.30 (4)	Na52ⁱⁱⁱ—Na52—Si2ⁱⁱⁱ	70.4 (4)
O1—Na1—Na3^ix	133.81 (4)	O4ⁱⁱⁱ—Na52—Si2ⁱⁱⁱ	34.07 (10)
O1^vi—Na1—Na3^ix	50.11 (4)	O4—Na52—Si2ⁱⁱⁱ	122.9 (5)
O1^ix—Na1—Na3^ix	65.71 (4)	Na52—Na53—Na51	11 (4)
O1^x—Na1—Na3^ix	124.81 (4)	Na52—Na53—Na53ⁱⁱⁱ	157 (9)
O1^vii—Na1—Na3^ix	114.51 (4)	Na51—Na53—Na53ⁱⁱⁱ	167 (9)
Na3—Na1—Na3^ix	100.48 (2)	Na52—Na53—Na52ⁱⁱⁱ	151 (10)
Na3^vii—Na1—Na3^ix	175.56 (3)	Na51—Na53—Na52ⁱⁱⁱ	163 (7)
O1^viii—Na1—Na3^x	50.11 (4)	Na53ⁱⁱⁱ—Na53—Na52ⁱⁱⁱ	8 (4)
O1—Na1—Na3^x	124.81 (4)	Na52—Na53—O5	91 (8)
O1^vi—Na1—Na3^x	114.51 (4)	Na51—Na53—O5	86 (5)
O1^ix—Na1—Na3^x	133.81 (4)	Na53ⁱⁱⁱ—Na53—O5	106 (9)
O1^x—Na1—Na3^x	65.71 (4)	Na52ⁱⁱⁱ—Na53—O5	105 (5)
O1^vii—Na1—Na3^x	51.30 (4)	Na52—Na53—Na5	23 (5)
Na3—Na1—Na3^x	100.48 (2)	Na51—Na53—Na5	12 (2)
Na3^vii—Na1—Na3^x	76.12 (3)	Na53ⁱⁱⁱ—Na53—Na5	168 (9)
Na3^ix—Na1—Na3^x	100.48 (2)	Na52ⁱⁱⁱ—Na53—Na5	170 (5)
O1^viii—Na1—Na3^vi	133.81 (4)	O5—Na53—Na5	85 (3)
O1—Na1—Na3^vi	51.30 (4)	Na52—Na53—Na51ⁱⁱⁱ	154 (9)
O1^vi—Na1—Na3^vi	65.71 (4)	Na51—Na53—Na51ⁱⁱⁱ	165 (6)
O1^ix—Na1—Na3^vi	50.11 (4)	Na53ⁱⁱⁱ—Na53—Na51ⁱⁱⁱ	6 (4)
O1^x—Na1—Na3^vi	114.51 (4)	Na52ⁱⁱⁱ—Na53—Na51ⁱⁱⁱ	2.8 (7)
O1^vii—Na1—Na3^vi	124.81 (4)	O5—Na53—Na51ⁱⁱⁱ	103 (4)
Na3—Na1—Na3^vi	76.12 (3)	Na5—Na53—Na51ⁱⁱⁱ	172 (4)
Na3^vii—Na1—Na3^vi	100.48 (2)	Na52—Na53—O3ⁱⁱⁱ	72 (7)
Na3^ix—Na1—Na3^vi	83.05 (4)	Na51—Na53—O3ⁱⁱⁱ	68 (4)
Na3^x—Na1—Na3^vi	175.56 (3)	Na53ⁱⁱⁱ—Na53—O3ⁱⁱⁱ	107 (7)
O1^viii—Na1—Na3^viii	65.71 (4)	Na52ⁱⁱⁱ—Na53—O3ⁱⁱⁱ	112 (4)
O1—Na1—Na3^viii	114.51 (4)	O5—Na53—O3ⁱⁱⁱ	130 (4)
O1^vi—Na1—Na3^viii	124.81 (4)	Na5—Na53—O3ⁱⁱⁱ	61 (3)
O1^ix—Na1—Na3^viii	51.29 (4)	Na51ⁱⁱⁱ—Na53—O3ⁱⁱⁱ	112 (4)
O1^x—Na1—Na3^viii	50.11 (4)	Na52—Na53—O6	80 (7)
O1^vii—Na1—Na3^viii	133.81 (4)	Na51—Na53—O6	69 (4)
Na3—Na1—Na3^viii	175.56 (4)	Na53ⁱⁱⁱ—Na53—O6	121 (3)
Na3^vii—Na1—Na3^viii	100.48 (2)	Na52ⁱⁱⁱ—Na53—O6	128 (6)
Na3^ix—Na1—Na3^viii	76.12 (3)	O5—Na53—O6	65 (2)
Na3^x—Na1—Na3^viii	83.05 (4)	Na5—Na53—O6	58 (2)
Na3^vi—Na1—Na3^viii	100.48 (2)	Na51ⁱⁱⁱ—Na53—O6	125 (5)
O1^xi—Na2—O1^xii	82.15 (5)	O3ⁱⁱⁱ—Na53—O6	66 (2)
O1^xi—Na2—O1^ix	97.85 (5)	Na52—Na53—O4ⁱⁱⁱ	83 (8)
O1^xii—Na2—O1^ix	180.00 (8)	Na51—Na53—O4ⁱⁱⁱ	90 (5)
O1^xi—Na2—O1	180.0	Na53ⁱⁱⁱ—Na53—O4ⁱⁱⁱ	77 (6)
O1^xii—Na2—O1	97.85 (5)	Na52ⁱⁱⁱ—Na53—O4ⁱⁱⁱ	76 (3)
O1^ix—Na2—O1	82.15 (5)	O5—Na53—O4ⁱⁱⁱ	165 (4)
O1^xi—Na2—O1^iv	82.14 (5)	Na5—Na53—O4ⁱⁱⁱ	95 (4)
O1^xii—Na2—O1^iv	82.14 (5)	Na51ⁱⁱⁱ—Na53—O4ⁱⁱⁱ	78 (3)
O1^ix—Na2—O1^iv	97.86 (5)	O3ⁱⁱⁱ—Na53—O4ⁱⁱⁱ	61.2 (19)
O1—Na2—O1^iv	97.85 (5)	O6—Na53—O4ⁱⁱⁱ	127 (3)
O1^xi—Na2—O1^x	97.86 (5)	Na52—Na53—O4	101 (8)
O1^xii—Na2—O1^x	97.86 (5)	Na51—Na53—O4	107 (6)
O1^ix—Na2—O1^x	82.14 (5)	Na53ⁱⁱⁱ—Na53—O4	75 (7)
O1—Na2—O1^x	82.15 (5)	Na52ⁱⁱⁱ—Na53—O4	68 (3)
O1^iv—Na2—O1^x	180.00 (8)	O5—Na53—O4	63 (2)
O1^xi—Na2—Na1^xi	49.34 (4)	Na5—Na53—O4	116 (4)
O1^xii—Na2—Na1^xi	49.35 (4)	Na51ⁱⁱⁱ—Na53—O4	68 (3)
O1^ix—Na2—Na1^xi	130.65 (4)	O3ⁱⁱⁱ—Na53—O4	164 (4)
O1—Na2—Na1^xi	130.65 (4)	O6—Na53—O4	128 (3)
O1^iv—Na2—Na1^xi	49.35 (4)	O4ⁱⁱⁱ—Na53—O4	105 (3)
O1^x—Na2—Na1^xi	130.65 (4)	Na52—Na53—Si2ⁱⁱⁱ	92 (8)
O1^xi—Na2—Na1	130.66 (4)	Na51—Na53—Si2ⁱⁱⁱ	93 (5)
O1^xii—Na2—Na1	130.65 (4)	Na53ⁱⁱⁱ—Na53—Si2ⁱⁱⁱ	78 (7)
O1^ix—Na2—Na1	49.35 (4)	Na52ⁱⁱⁱ—Na53—Si2ⁱⁱⁱ	81 (3)
O1—Na2—Na1	49.35 (4)	O5—Na53—Si2ⁱⁱⁱ	159 (4)
O1^iv—Na2—Na1	130.65 (4)	Na5—Na53—Si2ⁱⁱⁱ	91 (3)
O1^x—Na2—Na1	49.35 (4)	Na51ⁱⁱⁱ—Na53—Si2ⁱⁱⁱ	82 (3)
Na1^xi—Na2—Na1	180.0	O3ⁱⁱⁱ—Na53—Si2ⁱⁱⁱ	34.2 (10)
O1^xi—Na2—Na3^vi	131.65 (4)	O6—Na53—Si2ⁱⁱⁱ	96 (3)
O1^xii—Na2—Na3^vi	132.78 (4)	O4ⁱⁱⁱ—Na53—Si2ⁱⁱⁱ	35.1 (10)
O1^ix—Na2—Na3^vi	47.22 (4)	O4—Na53—Si2ⁱⁱⁱ	136 (3)
O1—Na2—Na3^vi	48.35 (4)	Si2—O1—Na3^vii	108.23 (8)
O1^iv—Na2—Na3^vi	73.48 (4)	Si2—O1—Na1	144.87 (9)
O1^x—Na2—Na3^vi	106.52 (4)	Na3^vii—O1—Na1	78.38 (5)
Na1^xi—Na2—Na3^vi	122.822 (17)	Si2—O1—Na3^vi	99.07 (8)
Na1—Na2—Na3^vi	57.178 (17)	Na3^vii—O1—Na3^vi	152.51 (8)
O1^xi—Na2—Na3^xiii	48.35 (4)	Na1—O1—Na3^vi	77.44 (5)
O1^xii—Na2—Na3^xiii	47.22 (4)	Si2—O1—Na2	135.83 (9)
O1^ix—Na2—Na3^xiii	132.78 (4)	Na3^vii—O1—Na2	81.79 (5)
O1—Na2—Na3^xiii	131.65 (4)	Na1—O1—Na2	78.72 (5)
O1^iv—Na2—Na3^xiii	106.52 (4)	Na3^vi—O1—Na2	80.84 (5)
O1^x—Na2—Na3^xiii	73.48 (4)	Si2—O1—Na3	77.97 (6)
Na1^xi—Na2—Na3^xiii	57.178 (17)	Na3^vii—O1—Na3	96.04 (6)
Na1—Na2—Na3^xiii	122.822 (17)	Na1—O1—Na3	66.96 (4)
Na3^vi—Na2—Na3^xiii	180.00 (4)	Na3^vi—O1—Na3	86.38 (6)
O1^xi—Na2—Na3^v	106.52 (4)	Na2—O1—Na3	145.24 (6)
O1^xii—Na2—Na3^v	48.35 (4)	Si1—O2—Fe1^xv	131.94 (9)
O1^ix—Na2—Na3^v	131.65 (4)	Si1—O2—Na51^iv	114.3 (4)
O1—Na2—Na3^v	73.48 (4)	Fe1^xv—O2—Na51^iv	112.4 (4)
O1^iv—Na2—Na3^v	47.22 (4)	Si1—O2—Na4	105.88 (8)
O1^x—Na2—Na3^v	132.78 (4)	Fe1^xv—O2—Na4	94.16 (6)
Na1^xi—Na2—Na3^v	57.178 (17)	Na51^iv—O2—Na4	78.18 (17)
Na1—Na2—Na3^v	122.822 (17)	Si1—O2—Na52^iv	101.7 (4)
Na3^vi—Na2—Na3^v	86.60 (2)	Fe1^xv—O2—Na52^iv	125.4 (4)
Na3^xiii—Na2—Na3^v	93.40 (2)	Na51^iv—O2—Na52^iv	13.1 (3)
O1^xi—Na2—Na3^viii	73.48 (4)	Na4—O2—Na52^iv	77.56 (16)
O1^xii—Na2—Na3^viii	131.65 (4)	Si1—O2—Na5^xv	140.62 (9)
O1^ix—Na2—Na3^viii	48.35 (4)	Fe1^xv—O2—Na5^xv	84.65 (5)
O1—Na2—Na3^viii	106.52 (4)	Na51^iv—O2—Na5^xv	27.8 (4)
O1^iv—Na2—Na3^viii	132.78 (4)	Na4—O2—Na5^xv	81.11 (5)
O1^x—Na2—Na3^viii	47.22 (4)	Na52^iv—O2—Na5^xv	40.9 (4)
Na1^xi—Na2—Na3^viii	122.822 (17)	Si1—O2—Na53^iv	91 (2)
Na1—Na2—Na3^viii	57.178 (17)	Fe1^xv—O2—Na53^iv	136 (2)
Na3^vi—Na2—Na3^viii	93.40 (2)	Na51^iv—O2—Na53^iv	24 (2)
Na3^xiii—Na2—Na3^viii	86.60 (2)	Na4—O2—Na53^iv	81.2 (17)
Na3^v—Na2—Na3^viii	180.00 (4)	Na52^iv—O2—Na53^iv	11 (2)
O3—Na3—O1^vii	130.97 (7)	Na5^xv—O2—Na53^iv	51 (2)
O3—Na3—O5^xiv	106.96 (7)	Si2—O3—Fe1^xv	130.90 (9)
O1^vii—Na3—O5^xiv	95.39 (6)	Si2—O3—Na3	99.86 (8)
O3—Na3—O1^vi	110.83 (6)	Fe1^xv—O3—Na3	105.91 (7)
O1^vii—Na3—O1^vi	87.01 (8)	Si2—O3—Na51ⁱⁱⁱ	103.0 (4)
O5^xiv—Na3—O1^vi	126.84 (7)	Fe1^xv—O3—Na51ⁱⁱⁱ	101.0 (2)
O3—Na3—O1	59.56 (5)	Na3—O3—Na51ⁱⁱⁱ	117.5 (3)
O1^vii—Na3—O1	78.74 (6)	Si2—O3—Na52ⁱⁱⁱ	91.9 (3)
O5^xiv—Na3—O1	148.85 (6)	Fe1^xv—O3—Na52ⁱⁱⁱ	103.89 (17)
O1^vi—Na3—O1	83.73 (6)	Na3—O3—Na52ⁱⁱⁱ	127.3 (3)
O3—Na3—Na1	104.54 (5)	Na51ⁱⁱⁱ—O3—Na52ⁱⁱⁱ	13.1 (3)
O1^vii—Na3—Na1	51.51 (4)	Si2—O3—Na5ⁱⁱⁱ	128.80 (8)
O5^xiv—Na3—Na1	144.98 (5)	Fe1^xv—O3—Na5ⁱⁱⁱ	90.31 (6)
O1^vi—Na3—Na1	51.26 (4)	Na3—O3—Na5ⁱⁱⁱ	94.40 (6)
O1—Na3—Na1	47.34 (3)	Na51ⁱⁱⁱ—O3—Na5ⁱⁱⁱ	30.1 (4)
O3—Na3—O4^vii	98.08 (6)	Na52ⁱⁱⁱ—O3—Na5ⁱⁱⁱ	43.2 (4)
O1^vii—Na3—O4^vii	58.81 (5)	Si2—O3—Na53ⁱⁱⁱ	83 (2)
O5^xiv—Na3—O4^vii	57.09 (5)	Fe1^xv—O3—Na53ⁱⁱⁱ	100 (2)
O1^vi—Na3—O4^vii	145.13 (6)	Na3—O3—Na53ⁱⁱⁱ	142 (3)
O1—Na3—O4^vii	95.10 (5)	Na51ⁱⁱⁱ—O3—Na53ⁱⁱⁱ	28 (3)
Na1—Na3—O4^vii	103.72 (4)	Na52ⁱⁱⁱ—O3—Na53ⁱⁱⁱ	15 (3)
O3—Na3—Si2	31.43 (4)	Na5ⁱⁱⁱ—O3—Na53ⁱⁱⁱ	57 (3)
O1^vii—Na3—Si2	100.66 (5)	Si2—O4—Si1^xii	133.26 (10)
O5^xiv—Na3—Si2	125.28 (5)	Si2—O4—Na4^xx	133.09 (9)
O1^vi—Na3—Si2	106.08 (5)	Si1^xii—O4—Na4^xx	93.37 (7)
O1—Na3—Si2	30.68 (3)	Si2—O4—Na53ⁱⁱⁱ	79.3 (19)
Na1—Na3—Si2	78.01 (3)	Si1^xii—O4—Na53ⁱⁱⁱ	117 (2)
O4^vii—Na3—Si2	88.36 (4)	Na4^xx—O4—Na53ⁱⁱⁱ	83 (3)
O3—Na3—Si2^vi	90.67 (5)	Si2—O4—Na52ⁱⁱⁱ	83.07 (15)
O1^vii—Na3—Si2^vi	117.68 (5)	Si1^xii—O4—Na52ⁱⁱⁱ	124.6 (3)
O5^xiv—Na3—Si2^vi	116.49 (5)	Na4^xx—O4—Na52ⁱⁱⁱ	71.0 (3)
O1^vi—Na3—Si2^vi	30.80 (4)	Na53ⁱⁱⁱ—O4—Na52ⁱⁱⁱ	15 (3)
O1—Na3—Si2^vi	92.76 (4)	Si2—O4—Na53	79 (2)
Na1—Na3—Si2^vi	77.71 (2)	Si1^xii—O4—Na53	96 (3)
O4^vii—Na3—Si2^vi	170.38 (5)	Na4^xx—O4—Na53	104.2 (19)
Si2—Na3—Si2^vi	101.22 (3)	Na53ⁱⁱⁱ—O4—Na53	29 (6)
O3—Na3—Na2^viii	160.58 (5)	Na52ⁱⁱⁱ—O4—Na53	43 (3)
O1^vii—Na3—Na2^viii	50.99 (4)	Si2—O4—Na52	85.47 (15)
O5^xiv—Na3—Na2^viii	91.28 (5)	Si1^xii—O4—Na52	83.2 (3)
O1^vi—Na3—Na2^viii	50.81 (4)	Na4^xx—O4—Na52	108.8 (2)
O1—Na3—Na2^viii	107.43 (4)	Na53ⁱⁱⁱ—O4—Na52	41 (3)
Na1—Na3—Na2^viii	60.240 (19)	Na52ⁱⁱⁱ—O4—Na52	55.6 (6)
O4^vii—Na3—Na2^viii	97.44 (4)	Na53—O4—Na52	13 (3)
Si2—Na3—Na2^viii	138.08 (3)	Si2—O4—Na51ⁱⁱⁱ	82.25 (14)
Si2^vi—Na3—Na2^viii	74.87 (2)	Si1^xii—O4—Na51ⁱⁱⁱ	131.5 (2)
O3—Na3—Si2^vii	117.06 (5)	Na4^xx—O4—Na51ⁱⁱⁱ	65.63 (19)
O1^vii—Na3—Si2^vii	28.07 (4)	Na53ⁱⁱⁱ—O4—Na51ⁱⁱⁱ	24 (3)
O5^xiv—Na3—Si2^vii	76.82 (5)	Na52ⁱⁱⁱ—O4—Na51ⁱⁱⁱ	9.9 (3)
O1^vi—Na3—Si2^vii	114.97 (5)	Na53—O4—Na51ⁱⁱⁱ	53 (3)
O1—Na3—Si2^vii	85.01 (4)	Na52—O4—Na51ⁱⁱⁱ	65.5 (5)
Na1—Na3—Si2^vii	75.50 (2)	Si2—O4—Na3^vii	80.72 (6)
O4^vii—Na3—Si2^vii	30.79 (3)	Si1^xii—O4—Na3^vii	83.96 (7)
Si2—Na3—Si2^vii	94.32 (3)	Na4^xx—O4—Na3^vii	103.29 (6)
Si2^vi—Na3—Si2^vii	145.35 (3)	Na53ⁱⁱⁱ—O4—Na3^vii	157.6 (18)
Na2^viii—Na3—Si2^vii	72.91 (2)	Na52ⁱⁱⁱ—O4—Na3^vii	150.6 (3)
O3—Na3—Si1^xiv	98.52 (5)	Na53—O4—Na3^vii	152.5 (18)
O1^vii—Na3—Si1^xiv	81.26 (5)	Na52—O4—Na3^vii	146.0 (3)
O5^xiv—Na3—Si1^xiv	28.05 (4)	Na51ⁱⁱⁱ—O4—Na3^vii	141.5 (3)
O1^vi—Na3—Si1^xiv	148.84 (5)	Si1—O5—Si2	131.09 (10)
O1—Na3—Si1^xiv	121.54 (4)	Si1—O5—Na3^v	110.33 (8)
Na1—Na3—Si1^xiv	131.54 (3)	Si2—O5—Na3^v	111.42 (8)
O4^vii—Na3—Si1^xiv	30.18 (3)	Si1—O5—Na53	92 (2)
Si2—Na3—Si1^xiv	104.43 (3)	Si2—O5—Na53	90 (3)
Si2^vi—Na3—Si1^xiv	144.41 (4)	Na3^v—O5—Na53	119 (3)
Na2^viii—Na3—Si1^xiv	100.76 (3)	Si1—O5—Na52	93.71 (18)
Si2^vii—Na3—Si1^xiv	56.05 (2)	Si2—O5—Na52	100.3 (4)
O2—Na4—O2ⁱⁱⁱ	102.12 (9)	Na3^v—O5—Na52	103.4 (4)
O2—Na4—O6ⁱ	112.10 (6)	Na53—O5—Na52	16 (3)
O2ⁱⁱⁱ—Na4—O6ⁱ	67.32 (5)	Si1—O5—Na51	90.38 (19)
O2—Na4—O6^xv	67.32 (5)	Si2—O5—Na51	111.1 (3)
O2ⁱⁱⁱ—Na4—O6^xv	112.11 (6)	Na3^v—O5—Na51	93.6 (3)
O6ⁱ—Na4—O6^xv	179.16 (10)	Na53—O5—Na51	28 (3)
O2—Na4—O4^xvi	129.28 (5)	Na52—O5—Na51	12.3 (3)
O2ⁱⁱⁱ—Na4—O4^xvi	104.01 (5)	Si1—O5—Na53ⁱⁱⁱ	94.6 (19)
O6ⁱ—Na4—O4^xvi	117.92 (6)	Si2—O5—Na53ⁱⁱⁱ	69 (2)
O6^xv—Na4—O4^xvi	62.74 (5)	Na3^v—O5—Na53ⁱⁱⁱ	139.0 (16)
O2—Na4—O4^xvii	104.01 (5)	Na53—O5—Na53ⁱⁱⁱ	25 (5)
O2ⁱⁱⁱ—Na4—O4^xvii	129.28 (5)	Na52—O5—Na53ⁱⁱⁱ	41 (2)
O6ⁱ—Na4—O4^xvii	62.75 (5)	Na51—O5—Na53ⁱⁱⁱ	53 (2)
O6^xv—Na4—O4^xvii	117.91 (6)	Si1—O6—Fe1	150.31 (11)
O4^xvi—Na4—O4^xvii	91.74 (8)	Si1—O6—Na4ⁱⁱ	99.35 (8)
O2—Na4—Na51^iv	49.53 (13)	Fe1—O6—Na4ⁱⁱ	94.26 (7)
O2ⁱⁱⁱ—Na4—Na51^iv	150.61 (15)	Si1—O6—Na51	97.1 (2)
O6ⁱ—Na4—Na51^iv	112.2 (3)	Fe1—O6—Na51	100.09 (17)
O6^xv—Na4—Na51^iv	67.9 (3)	Na4ⁱⁱ—O6—Na51	116.8 (4)
O4^xvi—Na4—Na51^iv	101.6 (2)	Si1—O6—Na5	112.41 (9)
O4^xvii—Na4—Na51^iv	63.4 (2)	Fe1—O6—Na5	94.35 (6)
O2—Na4—Na51^xviii	150.60 (15)	Na4ⁱⁱ—O6—Na5	87.45 (5)
O2ⁱⁱⁱ—Na4—Na51^xviii	49.53 (13)	Na51—O6—Na5	30.7 (4)
O6ⁱ—Na4—Na51^xviii	67.9 (3)	Si1—O6—Na52	91.6 (2)
O6^xv—Na4—Na51^xviii	112.2 (3)	Fe1—O6—Na52	100.22 (15)
O4^xvi—Na4—Na51^xviii	63.4 (2)	Na4ⁱⁱ—O6—Na52	128.8 (4)
O4^xvii—Na4—Na51^xviii	101.6 (2)	Na51—O6—Na52	12.3 (3)
Na51^iv—Na4—Na51^xviii	159.6 (3)	Na5—O6—Na52	42.9 (4)
O2—Na4—Na52^iv	51.37 (15)	Si1—O6—Na53	85 (2)
O2ⁱⁱⁱ—Na4—Na52^iv	146.93 (19)	Fe1—O6—Na53	99.8 (18)
O6ⁱ—Na4—Na52^iv	101.8 (3)	Na4ⁱⁱ—O6—Na53	143 (3)
O6^xv—Na4—Na52^iv	78.4 (3)	Na51—O6—Na53	27 (3)
O4^xvi—Na4—Na52^iv	108.5 (2)	Na5—O6—Na53	58 (3)
O4^xvii—Na4—Na52^iv	56.4 (2)	Na52—O6—Na53	15 (3)
Na51^iv—Na4—Na52^iv	10.5 (2)

Symmetry codes: (i) −x+4/3, −x+y+2/3, −z+1/6; (ii) −y+2/3, x−y−2/3, z+1/3; (iii) y+2/3, x−2/3, −z−1/6; (iv) x−y, x−1, −z; (v) −y+1, −x+1, z+1/2; (vi) x−y, −y, −z−1/2; (vii) −x+2, −x+y+1, −z−1/2; (viii) y+1, x−1, −z−1/2; (ix) −y+1, x−y−1, z; (x) −x+y+2, −x+1, z; (xi) −x+2, −y, −z; (xii) y+1, −x+y+1, −z; (xiii) −x+y+2, y, z+1/2; (xiv) −y+1, −x+1, z−1/2; (xv) −x+y+4/3, −x+2/3, z−1/3; (xvi) y+1/3, −x+y+2/3, −z−1/3; (xvii) −x+y+4/3, y−1/3, z+1/6; (xviii) x−1/3, x−y−2/3, z−1/6; (xix) −x+5/3, −y+1/3, −z+1/3; (xx) x−y+1/3, x−1/3, −z−1/3.

Bond valence sums (valence units*) for Na₅FeSi₄O₁₂ top

Atoms	Fe1	Si1	Si2	Na1	Na2	Na3	Na4	Na5	Sum
O1			1.10	0.20 ×6↓	0.16 ×6↓	0.22/0.20/0.05			1.92
O2	0.52 ×2↓	1.07				0.04	0.19 ×2↓	0.08 ×2↓	2.06
O3	0.47 ×2↓		1.04			0.23		0.14 ×2↓	1.87
O4		0.90	0.91			0.04	0.14 ×2↓		1.96
O5		0.94	0.90			0.22			2.06
O6	0.51 ×2↓	1.10					0.18 ×2↓	0.28 ×2↓	2.07
Sum	3.00	4.01	3.95	1.18	0.95	0.99	1.03	1.01

Note: (*) bond valence parameters are from Gagné & Hawthorne (2015). BVS for disordered Na atoms (Na51, Na52 and Na53) are not included. These disordered Na atoms contribute limited BV to atoms O2, O3, O4, O5 and O6, depending on site occupancy.

Selected interatomic distances (Å) for Na₅FeSi₄O₁₂ top

Fe1—O2	2.038 (2)	Na1—O1	2.377 (2)	Na4—O2	2.386 (2)	Na52—O2	2.396 (8)
Fe1—O3	2.034 (2)			Na4—O4	2.516 (2)	Na52—O3	2.411 (9)
Fe1–O6	2.002 (2)	Na2—O4	2.467 (2)	Na4—O6	2.413 (2)	Na52—O4	2.640 (11)
<Fe1—O>	2.025			<Na4—O>	2.438	Na52—O4	2.862 (12)
						Na52—O5	2.445 (10)
Si1—O2	1.597 (2)	Na3—O1	2.330 (2)	Na5—O2	2.738 (2)	Na52—O6	2.546 (15)
Si1—O4	1.663 (2)	Na3—O1	2.378 (2)	Na5—O3	2.533 (2)	<Na52—O>	2.550
Si1—O5	1.650 (1)	Na3—O1	2.946 (2)	Na5—O6	2.422 (1)
Si1—O6	1.587 (2)	Na3—O2	3.097 (2)	<Na5—O>	2.564	Na53—O2	2.86 (11)
<Si1—O>	1.624	Na3—O3	2.320 (2)			Na53–O3	2.53 (12)
		Na3—O4	3.020 (2)	Na51—O2	2.295 (8)	Na53—O4	2.63 (12)
Si2—O1	1.587 (2)	Na3—O5	2.331 (2)	Na51–O3	2.359 (10)	Na53—O4	2.66 (12)
Si2—O3	1.610 (2)	<Na3—O>	2.632	Na51—O4	2.899 (12)	Na53—O5	2.33 (13)
Si2—O4	1.661 (1)			Na51—O5	2.552 (11)	Na53—O5	2.96 (13)
Si2—O5	1.664 (2)			Na51—O6	2.414 (6)	Na53—O6	2.57 (10)
<Si2—O>	1.631			<Na51—O>	2.504	<Na53—O>	2.65

Refined occupancies: Na5 0.682 (7), Na51 0.144 (9), Na51 0.145 (10) and Na53 0.017 (7).

Comparison of unit-cell parameters of Na₅FeSi₄O₁₂ to analogues from Shannon et al. (1978) (unless otherwise noted) top

Phase	a (Å)	c (Å)	V (Å)
Na₅FeSi₄O₁₂ (this study)	21.418 (3)	12.291 (18)	4883
Na₅FeSi₄O₁₂	21.425 (2)	12.300 (2)	4889
Na₅ScSi₄O₁₂	21.672 (3)	12.437 (2)	5058
Na₅ScSi₄O₁₂ (Maximov et al., 1982)	21.679 (6)	12.446 (3)	5066
Na₅InSi₄O₁₂	21.725 (2)	12.460 (2)	5093
Na₅LuSi₄O₁₂	21.920 (2)	12.576 (2)	5233
Na₅YbSi₄O₁₂	21.940 (2)	12.567 (2)	5239
Na₅TmSi₄O₁₂	21.958 (3)	12.579 (2)	5252
Na₅ErSi₄O₁₂	21.989 (2)	12.610 (2)	5280
Na₅HoSi₄O₁₂	22.034 (2)	12.607 (2)	5301
Na₅YSi₄O₁₂	22.035 (1)	12.604 (1)	5300
Na₅YSi₄O₁₂ (Maximov et al., 1982)	22.062 (8)	12.621 (4)	5320
Na₅DySi₄O₁₂	22.058 (2)	12.623 (3)	5319
Na₅TbSi₄O₁₂	22.083 (1)	12.627 (1)	5332
Na₅GdSi₄O₁₂	22.126 (5)	12.650 (4)	5363
Na₅SmSi₄O₁₂	22.164 (4)	12.661 (4)	5386

xVBF fitting parameters for Mössbauer spectra of 5.1.8 glass and crystal top

Sample	Signal	CS¹ ±0.02 (mm/s)	QS² ±0.02 (mm/s)	Area ±2 (%)	Fit reduced χ²
Glass	Doublet 1 (Fe³⁺)	0.26	0.85	90.1	0.614
	Doublet 2 (Fe²⁺)	1.02	1.97	9.9
Crystal	Singlet 1 (Fe³⁺)	0.42		100	0.852

Notes: (1) chemical Shift relative to α-Fe foil; (2) quadrupole splitting.

Iron redox values determined from Mössbauer spectroscopy and wet chemistry for 5.1.8 glass and crystal top

			Glass	Crystal
	Mössbauer Spectroscopy		0.901	1.000
Fe³⁺/ΣFe	Wet chemistry	Average	0.927	0.994
	(triplicates)	Standard Deviation	0.017	0.001

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