Single-crystal X-ray refinement of wilkinsonite, Na₂Fe₄²⁺Fe₂³⁺Si₆O₂₀

This is the first structural refinement of the mineral wilkinsonite, Na₂Fe₄²⁺Fe₂³⁺Si₆O₂₀. Wilkinsonite is a member of the aenigmatite group and consists of bands of Fe octa­hedra connected to eight-coordinated Na polyhedra forming sheets parallel to (011), which are inter­connected by chains of [Si₆O₁₈]_∞ and Fe octa­hedra. The site occupancies of the different valence states of Fe have been determined from bond distances and bond valence

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean [sigma](i-O) = 0.005 Å
• R factor = 0.041
• wR factor = 0.089
• Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT155_ALERT_4_C The Triclinic Unitcell is NOT Reduced ..........          ?
PLAT156_ALERT_4_C Axial System Input Cell not Standard ...........          ?

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

Data collection: SMART (Bruker, 2003); cell refinement: SMART; data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XTALDRAW (Downs & Hall-Wallace, 2003); software used to prepare material for publication: SHELXTL (Bruker, 1997).

disodium hexairon(II,III) hexasilicon icosaoxide

Crystal data

Fe6Na2O20Si6	Z = 2
Mr = 869.62	F(000) = 844
Triclinic, P1	Dx = 3.911 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.3355 (5) Å	Cell parameters from 1568 reflections
b = 10.7847 (4) Å	θ = 2.5–29.3°
c = 8.9142 (4) Å	µ = 6.42 mm^−1
α = 105.048 (3)°	T = 296 K
β = 96.461 (3)°	Prismatic, black
γ = 125.302 (2)°	0.05 × 0.05 × 0.04 mm
V = 738.37 (7) Å^3

Data collection

Bruker SMART CCD area-detector diffractometer	4312 independent reflections
Radiation source: fine-focus sealed tube	2812 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.063
φ and ω scans	θmax = 30.0°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 2005)	h = −14→14
Tmin = 0.733, Tmax = 0.774	k = −15→14
16331 measured reflections	l = −12→12

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F^2 > 2σ(F^2)] = 0.041	Secondary atom site location: difference Fourier map
wR(F^2) = 0.089	w = 1/[σ^2(Fo^2) + (0.0325P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.00	(Δ/σ)max < 0.001
4312 reflections	Δρmax = 1.09 e Å^−3
310 parameters	Δρmin = −0.89 e Å^−3

Special details

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq
Fe1	0.0000	0.0000	0.5000	0.0089 (2)
Fe2	0.0000	0.5000	0.0000	0.0079 (2)
Fe3	0.31905 (9)	0.85202 (8)	0.17897 (9)	0.00742 (16)
Fe4	0.76728 (9)	0.82004 (8)	0.15109 (9)	0.00742 (16)
Fe5	0.09363 (9)	0.93553 (9)	0.05864 (9)	0.01104 (17)
Fe6	0.59487 (9)	0.94132 (8)	0.06557 (9)	0.00708 (15)
Fe7	0.99381 (9)	0.73633 (9)	0.26446 (9)	0.00706 (15)
Si1	0.47856 (16)	1.23504 (16)	0.33068 (16)	0.0058 (3)
Si2	0.98595 (16)	1.23337 (16)	0.34225 (16)	0.0049 (3)
Si3	0.79150 (16)	0.33856 (16)	0.24104 (16)	0.0051 (3)
Si4	0.72159 (16)	0.66157 (16)	0.77590 (16)	0.0056 (3)
Si5	0.64857 (16)	0.94629 (16)	0.44736 (16)	0.0061 (3)
Si6	0.35235 (16)	0.55640 (15)	0.04592 (16)	0.0054 (3)
Na1	0.2104 (2)	0.6312 (2)	0.3883 (2)	0.0131 (4)
Na2	0.6611 (2)	0.6128 (2)	0.3724 (3)	0.0156 (5)
O1	0.3582 (4)	1.0689 (4)	0.1649 (4)	0.0079 (7)
O2	0.8609 (4)	1.0677 (4)	0.1751 (4)	0.0080 (7)
O3	0.5558 (4)	0.9532 (4)	0.2956 (4)	0.0079 (7)
O4	0.0149 (4)	0.9335 (4)	0.2748 (4)	0.0076 (7)
O5	0.2403 (4)	0.8763 (4)	0.3957 (4)	0.0095 (7)
O6	0.7549 (4)	0.8835 (4)	0.3948 (4)	0.0075 (7)
O7	0.5073 (4)	0.8026 (4)	0.5056 (4)	0.0081 (7)
O8	0.9578 (4)	0.7845 (4)	0.4926 (4)	0.0066 (7)
O9	0.8992 (4)	0.3213 (4)	0.3738 (4)	0.0074 (7)
O10	0.5932 (4)	0.6608 (4)	0.6478 (4)	0.0069 (7)
O11	0.3356 (4)	0.8275 (4)	0.9256 (4)	0.0078 (7)
O12	0.8431 (4)	0.8318 (4)	0.9360 (4)	0.0079 (7)
O13	0.5255 (4)	0.7119 (4)	0.0394 (4)	0.0086 (7)
O14	0.0666 (4)	0.7273 (4)	0.0687 (4)	0.0081 (7)
O15	0.2405 (4)	0.6058 (4)	0.1112 (4)	0.0072 (7)
O16	0.7482 (4)	0.6020 (4)	0.1286 (4)	0.0075 (7)
O17	0.5995 (4)	0.5003 (4)	0.8143 (4)	0.0079 (7)
O18	0.9345 (4)	0.5053 (4)	0.2194 (4)	0.0094 (7)
O19	0.8336 (4)	0.6335 (4)	0.6807 (4)	0.0076 (7)
O20	0.6736 (4)	0.3634 (4)	0.3361 (4)	0.0081 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.0076 (5)	0.0076 (5)	0.0105 (5)	0.0050 (4)	0.0011 (4)	0.0027 (4)
Fe2	0.0063 (5)	0.0085 (5)	0.0071 (5)	0.0042 (4)	0.0019 (4)	0.0022 (4)
Fe3	0.0069 (3)	0.0073 (3)	0.0083 (4)	0.0047 (3)	0.0020 (3)	0.0030 (3)
Fe4	0.0068 (3)	0.0078 (3)	0.0071 (4)	0.0046 (3)	0.0023 (3)	0.0023 (3)
Fe5	0.0091 (4)	0.0122 (4)	0.0123 (4)	0.0065 (3)	0.0032 (3)	0.0065 (3)
Fe6	0.0078 (3)	0.0066 (3)	0.0073 (4)	0.0044 (3)	0.0031 (3)	0.0037 (3)
Fe7	0.0058 (3)	0.0070 (3)	0.0075 (4)	0.0042 (3)	0.0017 (3)	0.0017 (3)
Si1	0.0053 (6)	0.0056 (6)	0.0073 (7)	0.0034 (5)	0.0026 (6)	0.0034 (6)
Si2	0.0055 (6)	0.0061 (6)	0.0051 (7)	0.0043 (5)	0.0026 (5)	0.0027 (5)
Si3	0.0049 (6)	0.0051 (6)	0.0056 (7)	0.0032 (5)	0.0020 (5)	0.0024 (5)
Si4	0.0054 (6)	0.0058 (6)	0.0061 (7)	0.0038 (5)	0.0017 (6)	0.0023 (5)
Si5	0.0059 (6)	0.0074 (6)	0.0060 (7)	0.0043 (6)	0.0023 (6)	0.0035 (6)
Si6	0.0047 (6)	0.0040 (6)	0.0057 (7)	0.0022 (5)	0.0012 (5)	0.0013 (5)
Na1	0.0132 (10)	0.0141 (10)	0.0131 (11)	0.0092 (9)	0.0032 (9)	0.0059 (9)
Na2	0.0109 (11)	0.0132 (10)	0.0167 (12)	0.0044 (9)	0.0030 (9)	0.0073 (10)
O1	0.0091 (17)	0.0084 (16)	0.0072 (18)	0.0062 (15)	0.0030 (15)	0.0025 (15)
O2	0.0070 (17)	0.0092 (17)	0.0091 (18)	0.0058 (15)	0.0037 (15)	0.0034 (15)
O3	0.0045 (16)	0.0093 (16)	0.0094 (18)	0.0039 (14)	0.0027 (15)	0.0043 (15)
O4	0.0061 (16)	0.0088 (16)	0.0082 (17)	0.0047 (14)	0.0020 (14)	0.0038 (14)
O5	0.0110 (18)	0.0080 (17)	0.0116 (18)	0.0073 (15)	0.0055 (16)	0.0028 (15)
O6	0.0073 (17)	0.0075 (16)	0.0091 (18)	0.0053 (14)	0.0028 (15)	0.0032 (15)
O7	0.0056 (16)	0.0084 (16)	0.0081 (18)	0.0032 (14)	0.0023 (14)	0.0038 (14)
O8	0.0053 (16)	0.0081 (16)	0.0080 (18)	0.0047 (14)	0.0023 (14)	0.0042 (14)
O9	0.0084 (17)	0.0093 (16)	0.0084 (17)	0.0072 (15)	0.0030 (14)	0.0045 (15)
O10	0.0078 (16)	0.0080 (16)	0.0054 (17)	0.0054 (14)	0.0027 (14)	0.0020 (14)
O11	0.0050 (16)	0.0058 (16)	0.0075 (18)	0.0021 (14)	−0.0007 (15)	0.0007 (14)
O12	0.0033 (16)	0.0077 (16)	0.0085 (18)	0.0021 (14)	0.0008 (15)	0.0019 (15)
O13	0.0078 (17)	0.0085 (17)	0.0099 (18)	0.0050 (15)	0.0036 (15)	0.0045 (15)
O14	0.0096 (17)	0.0069 (16)	0.0079 (17)	0.0049 (14)	0.0027 (15)	0.0038 (14)
O15	0.0078 (17)	0.0085 (16)	0.0070 (18)	0.0069 (15)	0.0016 (15)	0.0012 (14)
O16	0.0058 (16)	0.0088 (16)	0.0079 (18)	0.0053 (14)	0.0006 (14)	0.0026 (14)
O17	0.0077 (17)	0.0095 (17)	0.0113 (18)	0.0072 (15)	0.0031 (15)	0.0056 (15)
O18	0.0064 (17)	0.0099 (17)	0.0095 (18)	0.0039 (15)	0.0031 (15)	0.0038 (15)
O19	0.0062 (16)	0.0046 (15)	0.0098 (18)	0.0023 (14)	0.0038 (14)	0.0025 (14)
O20	0.0080 (17)	0.0071 (16)	0.0091 (18)	0.0049 (14)	0.0035 (15)	0.0024 (14)

Geometric parameters (Å, º)

Fe1—O4^i	2.004 (3)	Fe7—O18	2.099 (3)
Fe1—O4^ii	2.004 (3)	Si1—O1	1.606 (4)
Fe1—O6^iii	2.013 (3)	Si1—O7^xi	1.627 (3)
Fe1—O6^iv	2.013 (3)	Si1—O20^xiii	1.644 (3)
Fe1—O8^iii	2.083 (3)	Si1—O10^xi	1.652 (4)
Fe1—O8^iv	2.083 (3)	Si2—O2	1.612 (4)
Fe2—O14^v	2.008 (3)	Si2—O8^xiv	1.621 (3)
Fe2—O14	2.008 (3)	Si2—O9^xiii	1.639 (4)
Fe2—O15	2.011 (3)	Si2—O19^xiv	1.651 (3)
Fe2—O15^v	2.011 (3)	Si3—O11^iv	1.612 (4)
Fe2—O18^vi	2.138 (3)	Si3—O18	1.621 (3)
Fe2—O18^vii	2.138 (3)	Si3—O9	1.652 (3)
Fe3—O3	2.003 (3)	Si3—O20	1.663 (4)
Fe3—O14	2.065 (3)	Si4—O12	1.599 (4)
Fe3—O15	2.154 (3)	Si4—O17	1.614 (3)
Fe3—O1	2.173 (3)	Si4—O19	1.626 (4)
Fe3—O5	2.191 (3)	Si4—O10	1.645 (4)
Fe3—O11^viii	2.243 (3)	Si5—O3	1.611 (3)
Fe4—O13	2.016 (3)	Si5—O5^xi	1.627 (4)
Fe4—O4^ix	2.075 (3)	Si5—O6	1.642 (4)
Fe4—O6	2.144 (3)	Si5—O7	1.666 (3)
Fe4—O12^viii	2.157 (3)	Si6—O16^vi	1.620 (4)
Fe4—O2	2.188 (3)	Si6—O13	1.620 (3)
Fe4—O16	2.195 (3)	Si6—O15	1.631 (4)
Fe5—O14	2.125 (3)	Si6—O17^iv	1.668 (3)
Fe5—O12^x	2.128 (3)	Na1—O7	2.376 (4)
Fe5—O1	2.146 (3)	Na1—O18^vii	2.395 (4)
Fe5—O4	2.175 (3)	Na1—O5	2.458 (4)
Fe5—O12^xi	2.182 (3)	Na1—O15	2.489 (4)
Fe5—O2^xii	2.183 (3)	Na1—O19^iv	2.503 (4)
Fe6—O13	2.074 (3)	Na1—O20^iv	2.581 (4)
Fe6—O3	2.120 (3)	Na1—O9^iv	2.586 (4)
Fe6—O11^xi	2.134 (3)	Na1—O9^vii	2.965 (4)
Fe6—O1^xii	2.153 (3)	Na2—O8	2.376 (4)
Fe6—O2	2.179 (3)	Na2—O17^iv	2.378 (4)
Fe6—O11^viii	2.212 (3)	Na2—O6	2.427 (4)
Fe7—O14^ix	1.978 (3)	Na2—O16	2.445 (4)
Fe7—O4^ix	1.984 (3)	Na2—O10^iv	2.510 (3)
Fe7—O5^ix	2.026 (4)	Na2—O10	2.633 (4)
Fe7—O16	2.039 (3)	Na2—O20	2.705 (4)
Fe7—O8	2.096 (3)	Na2—O19	2.982 (4)
O4^i—Fe1—O4^ii	180.0	O7^xi—Si1—O10^xi	108.23 (18)
O4^i—Fe1—O6^iii	91.01 (13)	O20^xiii—Si1—O10^xi	106.45 (17)
O4^ii—Fe1—O6^iii	88.99 (13)	O1—Si1—Na1^xi	131.69 (14)
O4^i—Fe1—O6^iv	88.99 (13)	O7^xi—Si1—Na1^xi	48.87 (12)
O4^ii—Fe1—O6^iv	91.01 (13)	O20^xiii—Si1—Na1^xi	56.15 (12)
O6^iii—Fe1—O6^iv	180.000 (1)	O10^xi—Si1—Na1^xi	118.08 (14)
O4^i—Fe1—O8^iii	95.99 (13)	O1—Si1—Na2^xiii	128.21 (13)
O4^ii—Fe1—O8^iii	84.01 (13)	O7^xi—Si1—Na2^xiii	119.09 (14)
O6^iii—Fe1—O8^iii	93.89 (12)	O20^xiii—Si1—Na2^xiii	56.61 (12)
O6^iv—Fe1—O8^iii	86.11 (12)	O10^xi—Si1—Na2^xiii	49.84 (12)
O4^i—Fe1—O8^iv	84.01 (13)	Na1^xi—Si1—Na2^xiii	88.42 (6)
O4^ii—Fe1—O8^iv	95.99 (13)	O2—Si2—O8^xiv	117.93 (18)
O6^iii—Fe1—O8^iv	86.11 (12)	O2—Si2—O9^xiii	107.29 (18)
O6^iv—Fe1—O8^iv	93.89 (12)	O8^xiv—Si2—O9^xiii	110.46 (18)
O8^iii—Fe1—O8^iv	180.000 (1)	O2—Si2—O19^xiv	110.44 (17)
O4^i—Fe1—Na2^iii	94.36 (10)	O8^xiv—Si2—O19^xiv	103.43 (17)
O4^ii—Fe1—Na2^iii	85.64 (10)	O9^xiii—Si2—O19^xiv	106.79 (17)
O6^iii—Fe1—Na2^iii	47.58 (10)	O2—Si2—Na2^xiv	132.58 (14)
O6^iv—Fe1—Na2^iii	132.42 (10)	O9^xiii—Si2—Na2^xiv	119.77 (14)
O8^iii—Fe1—Na2^iii	46.32 (9)	O19^xiv—Si2—Na2^xiv	62.68 (12)
O8^iv—Fe1—Na2^iii	133.68 (9)	O2—Si2—Na1^xv	128.51 (13)
O4^i—Fe1—Na2^iv	85.64 (10)	O8^xiv—Si2—Na1^xv	112.51 (13)
O4^ii—Fe1—Na2^iv	94.36 (10)	O9^xiii—Si2—Na1^xv	61.73 (12)
O6^iii—Fe1—Na2^iv	132.42 (10)	O19^xiv—Si2—Na1^xv	45.50 (12)
O6^iv—Fe1—Na2^iv	47.58 (10)	Na2^xiv—Si2—Na1^xv	82.30 (6)
O8^iii—Fe1—Na2^iv	133.68 (9)	O11^iv—Si3—O18	116.30 (18)
O8^iv—Fe1—Na2^iv	46.32 (9)	O11^iv—Si3—O9	112.90 (18)
Na2^iii—Fe1—Na2^iv	180.00 (8)	O18—Si3—O9	104.05 (18)
O14^v—Fe2—O14	180.00 (8)	O11^iv—Si3—O20	106.83 (18)
O14^v—Fe2—O15	91.13 (13)	O18—Si3—O20	111.65 (18)
O14—Fe2—O15	88.87 (13)	O9—Si3—O20	104.57 (17)
O14^v—Fe2—O15^v	88.87 (13)	O11^iv—Si3—Na1^iv	126.30 (13)
O14—Fe2—O15^v	91.13 (13)	O18—Si3—Na1^iv	117.39 (14)
O15—Fe2—O15^v	180.00 (12)	O9—Si3—Na1^iv	52.40 (12)
O14^v—Fe2—O18^vi	84.00 (13)	O20—Si3—Na1^iv	52.27 (12)
O14—Fe2—O18^vi	96.00 (13)	O11^iv—Si3—Na1^ix	132.82 (13)
O15—Fe2—O18^vi	84.93 (13)	O9—Si3—Na1^ix	62.28 (12)
O15^v—Fe2—O18^vi	95.07 (13)	O20—Si3—Na1^ix	119.99 (13)
O14^v—Fe2—O18^vii	96.00 (13)	Na1^iv—Si3—Na1^ix	89.59 (6)
O14—Fe2—O18^vii	84.00 (13)	O12—Si4—O17	114.07 (18)
O15—Fe2—O18^vii	95.07 (13)	O12—Si4—O19	109.57 (18)
O15^v—Fe2—O18^vii	84.93 (13)	O17—Si4—O19	107.83 (18)
O18^vi—Fe2—O18^vii	180.000 (1)	O12—Si4—O10	111.79 (18)
O14^v—Fe2—Na1	95.16 (10)	O17—Si4—O10	104.57 (17)
O14—Fe2—Na1	84.84 (10)	O19—Si4—O10	108.76 (17)
O15—Fe2—Na1	48.72 (10)	O12—Si4—Na2^iv	133.79 (14)
O15^v—Fe2—Na1	131.28 (10)	O17—Si4—Na2^iv	50.01 (13)
O18^vi—Fe2—Na1	133.64 (9)	O19—Si4—Na2^iv	116.60 (14)
O18^vii—Fe2—Na1	46.36 (9)	O10—Si4—Na2^iv	54.80 (12)
O14^v—Fe2—Na1^v	84.84 (10)	O12—Si4—Na2	127.35 (13)
O14—Fe2—Na1^v	95.16 (10)	O17—Si4—Na2	118.08 (14)
O15—Fe2—Na1^v	131.28 (10)	O19—Si4—Na2	60.52 (13)
O15^v—Fe2—Na1^v	48.72 (10)	O10—Si4—Na2	48.24 (12)
O18^vi—Fe2—Na1^v	46.36 (9)	Na2^iv—Si4—Na2	79.71 (6)
O18^vii—Fe2—Na1^v	133.64 (9)	O3—Si5—O5^xi	109.37 (18)
Na1—Fe2—Na1^v	180.0	O3—Si5—O6	112.30 (18)
O3—Fe3—O14	173.55 (12)	O5^xi—Si5—O6	114.05 (19)
O3—Fe3—O15	91.26 (13)	O3—Si5—O7	110.33 (18)
O14—Fe3—O15	83.64 (13)	O5^xi—Si5—O7	107.29 (17)
O3—Fe3—O1	100.06 (13)	O6—Si5—O7	103.21 (17)
O14—Fe3—O1	85.86 (12)	O16^vi—Si6—O13	110.10 (17)
O15—Fe3—O1	161.92 (13)	O16^vi—Si6—O15	114.55 (18)
O3—Fe3—O5	97.96 (13)	O13—Si6—O15	112.47 (18)
O14—Fe3—O5	79.14 (13)	O16^vi—Si6—O17^iv	106.07 (17)
O15—Fe3—O5	100.16 (12)	O13—Si6—O17^iv	108.50 (18)
O1—Fe3—O5	92.24 (12)	O15—Si6—O17^iv	104.63 (17)
O3—Fe3—O11^viii	98.19 (13)	O7—Na1—O18^vii	162.68 (13)
O14—Fe3—O11^viii	85.50 (12)	O7—Na1—O5	89.23 (13)
O15—Fe3—O11^viii	86.77 (12)	O18^vii—Na1—O5	78.68 (12)
O1—Fe3—O11^viii	77.76 (12)	O7—Na1—O15	89.05 (12)
O5—Fe3—O11^viii	162.26 (13)	O18^vii—Na1—O15	77.62 (12)
O3—Fe3—Fe6	48.24 (9)	O5—Na1—O15	84.70 (12)
O14—Fe3—Fe6	135.22 (10)	O7—Na1—O19^iv	94.15 (13)
O15—Fe3—Fe6	88.87 (9)	O18^vii—Na1—O19^iv	95.45 (13)
O1—Fe3—Fe6	88.27 (9)	O5—Na1—O19^iv	168.39 (14)
O5—Fe3—Fe6	145.51 (10)	O15—Na1—O19^iv	84.25 (12)
O11^viii—Fe3—Fe6	49.95 (8)	O7—Na1—O20^iv	62.97 (11)
O3—Fe3—Na1	86.38 (9)	O18^vii—Na1—O20^iv	133.82 (12)
O14—Fe3—Na1	87.35 (9)	O5—Na1—O20^iv	117.58 (13)
O15—Fe3—Na1	51.37 (9)	O15—Na1—O20^iv	142.15 (14)
O1—Fe3—Na1	142.72 (10)	O19^iv—Na1—O20^iv	73.71 (11)
O5—Fe3—Na1	50.49 (9)	O7—Na1—O9^iv	106.70 (13)
O11^viii—Fe3—Na1	138.08 (9)	O18^vii—Na1—O9^iv	83.24 (12)
Fe6—Fe3—Na1	121.05 (5)	O5—Na1—O9^iv	78.67 (12)
O13—Fe4—O4^ix	177.80 (13)	O15—Na1—O9^iv	156.75 (14)
O13—Fe4—O6	94.09 (13)	O19^iv—Na1—O9^iv	110.83 (12)
O4^ix—Fe4—O6	83.71 (13)	O20^iv—Na1—O9^iv	61.01 (11)
O13—Fe4—O12^viii	96.40 (13)	O7—Na1—O9^vii	140.42 (12)
O4^ix—Fe4—O12^viii	85.74 (12)	O18^vii—Na1—O9^vii	56.35 (10)
O6—Fe4—O12^viii	163.24 (12)	O5—Na1—O9^vii	124.73 (13)
O13—Fe4—O2	94.08 (13)	O15—Na1—O9^vii	111.59 (12)
O4^ix—Fe4—O2	85.80 (12)	O19^iv—Na1—O9^vii	57.01 (10)
O6—Fe4—O2	87.47 (12)	O20^iv—Na1—O9^vii	81.77 (10)
O12^viii—Fe4—O2	78.79 (12)	O9^iv—Na1—O9^vii	66.72 (12)
O13—Fe4—O16	100.95 (12)	O7—Na1—Si1^xi	31.04 (8)
O4^ix—Fe4—O16	79.48 (13)	O18^vii—Na1—Si1^xi	165.53 (11)
O6—Fe4—O16	98.66 (12)	O5—Na1—Si1^xi	105.59 (11)
O12^viii—Fe4—O16	92.14 (12)	O15—Na1—Si1^xi	116.27 (10)
O2—Fe4—O16	163.27 (12)	O19^iv—Na1—Si1^xi	82.58 (9)
O13—Fe4—Fe6	45.79 (9)	O20^iv—Na1—Si1^xi	31.94 (7)
O4^ix—Fe4—Fe6	133.93 (9)	O9^iv—Na1—Si1^xi	84.08 (9)
O6—Fe4—Fe6	89.15 (9)	O9^vii—Na1—Si1^xi	111.81 (9)
O12^viii—Fe4—Fe6	88.84 (9)	O7—Na1—Fe3	80.57 (9)
O2—Fe4—Fe6	48.36 (9)	O18^vii—Na1—Fe3	82.13 (9)
O16—Fe4—Fe6	146.51 (9)	O5—Na1—Fe3	43.46 (8)
O13—Fe4—Na2	91.19 (9)	O15—Na1—Fe3	42.54 (8)
O4^ix—Fe4—Na2	87.43 (9)	O19^iv—Na1—Fe3	126.24 (10)
O6—Fe4—Na2	49.93 (9)	O20^iv—Na1—Fe3	140.59 (10)
O12^viii—Fe4—Na2	142.48 (10)	O9^iv—Na1—Fe3	122.00 (10)
O2—Fe4—Na2	137.36 (10)	O9^vii—Na1—Fe3	137.36 (9)
O16—Fe4—Na2	50.34 (9)	Si1^xi—Na1—Fe3	110.65 (6)
Fe6—Fe4—Na2	121.25 (5)	O7—Na1—Si3^iv	85.33 (10)
O14—Fe5—O12^x	103.06 (13)	O18^vii—Na1—Si3^iv	108.75 (10)
O14—Fe5—O1	85.06 (12)	O5—Na1—Si3^iv	99.72 (10)
O12^x—Fe5—O1	170.73 (12)	O15—Na1—Si3^iv	172.78 (11)
O14—Fe5—O4	82.77 (12)	O19^iv—Na1—Si3^iv	91.64 (9)
O12^x—Fe5—O4	84.02 (13)	O20^iv—Na1—Si3^iv	30.64 (8)
O1—Fe5—O4	101.64 (12)	O9^iv—Na1—Si3^iv	30.41 (8)
O14—Fe5—O12^xi	172.43 (13)	O9^vii—Na1—Si3^iv	70.61 (8)
O12^x—Fe5—O12^xi	84.50 (12)	Si1^xi—Na1—Si3^iv	57.14 (5)
O1—Fe5—O12^xi	87.38 (12)	Fe3—Na1—Si3^iv	140.17 (7)
O4—Fe5—O12^xi	98.48 (13)	O7—Na1—Fe7^vii	127.35 (10)
O14—Fe5—O2^xii	101.44 (13)	O18^vii—Na1—Fe7^vii	40.24 (8)
O12^x—Fe5—O2^xii	87.69 (12)	O5—Na1—Fe7^vii	38.58 (9)
O1—Fe5—O2^xii	86.29 (12)	O15—Na1—Fe7^vii	81.28 (9)
O4—Fe5—O2^xii	171.39 (13)	O19^iv—Na1—Fe7^vii	135.40 (11)
O12^xi—Fe5—O2^xii	78.36 (12)	O20^iv—Na1—Fe7^vii	135.55 (11)
O13—Fe6—O3	84.13 (13)	O9^iv—Na1—Fe7^vii	75.58 (9)
O13—Fe6—O11^xi	175.93 (13)	O9^vii—Na1—Fe7^vii	90.09 (8)
O3—Fe6—O11^xi	99.84 (13)	Si1^xi—Na1—Fe7^vii	141.24 (8)
O13—Fe6—O1^xii	95.48 (13)	Fe3—Na1—Fe7^vii	57.85 (4)
O3—Fe6—O1^xii	178.24 (13)	Si3^iv—Na1—Fe7^vii	105.74 (6)
O11^xi—Fe6—O1^xii	80.57 (12)	O8—Na2—O17^iv	157.47 (13)
O13—Fe6—O2	92.72 (13)	O8—Na2—O6	77.09 (12)
O3—Fe6—O2	92.07 (12)	O17^iv—Na2—O6	87.10 (13)
O11^xi—Fe6—O2	88.03 (12)	O8—Na2—O16	78.31 (12)
O1^xii—Fe6—O2	86.23 (12)	O17^iv—Na2—O16	84.47 (12)
O13—Fe6—O11^viii	91.71 (13)	O6—Na2—O16	84.99 (12)
O3—Fe6—O11^viii	95.70 (12)	O8—Na2—O10^iv	137.37 (13)
O11^xi—Fe6—O11^viii	87.05 (12)	O17^iv—Na2—O10^iv	63.60 (11)
O1^xii—Fe6—O11^viii	86.02 (12)	O6—Na2—O10^iv	141.15 (14)
O2—Fe6—O11^viii	171.41 (12)	O16—Na2—O10^iv	114.73 (13)
O13—Fe6—Fe3	86.95 (9)	O8—Na2—O10	97.49 (13)
O3—Fe6—Fe3	44.80 (9)	O17^iv—Na2—O10	98.28 (13)
O11^xi—Fe6—Fe3	95.25 (9)	O6—Na2—O10	89.32 (12)
O1^xii—Fe6—Fe3	136.92 (10)	O16—Na2—O10	173.56 (13)
O2—Fe6—Fe3	136.72 (9)	O10^iv—Na2—O10	71.66 (13)
O11^viii—Fe6—Fe3	50.90 (8)	O8—Na2—O20	83.78 (12)
O13—Fe6—Fe4	44.17 (9)	O17^iv—Na2—O20	107.78 (13)
O3—Fe6—Fe4	85.00 (9)	O6—Na2—O20	158.04 (13)
O11^xi—Fe6—Fe4	136.63 (9)	O16—Na2—O20	80.62 (12)
O1^xii—Fe6—Fe4	93.52 (9)	O10^iv—Na2—O20	60.70 (11)
O2—Fe6—Fe4	48.62 (8)	O10—Na2—O20	103.93 (12)
O11^viii—Fe6—Fe4	135.71 (9)	O8—Na2—O19	55.90 (10)
Fe3—Fe6—Fe4	116.28 (3)	O17^iv—Na2—O19	146.45 (12)
O14^ix—Fe7—O4^ix	91.69 (13)	O6—Na2—O19	111.39 (12)
O14^ix—Fe7—O5^ix	85.29 (14)	O16—Na2—O19	123.50 (13)
O4^ix—Fe7—O5^ix	92.66 (13)	O10^iv—Na2—O19	86.14 (11)
O14^ix—Fe7—O16	93.58 (13)	O10—Na2—O19	56.11 (10)
O4^ix—Fe7—O16	85.50 (14)	O20—Na2—O19	64.64 (10)
O5^ix—Fe7—O16	177.81 (13)	O8—Na2—Si4^iv	168.99 (12)
O14^ix—Fe7—O8	170.29 (13)	O17^iv—Na2—Si4^iv	31.33 (8)
O4^ix—Fe7—O8	84.17 (13)	O6—Na2—Si4^iv	113.90 (11)
O5^ix—Fe7—O8	86.13 (13)	O16—Na2—Si4^iv	102.40 (11)
O16—Fe7—O8	94.85 (13)	O10^iv—Na2—Si4^iv	32.39 (8)
O14^ix—Fe7—O18	85.77 (13)	O10—Na2—Si4^iv	82.66 (9)
O4^ix—Fe7—O18	170.29 (14)	O20—Na2—Si4^iv	85.50 (9)
O5^ix—Fe7—O18	96.47 (13)	O19—Na2—Si4^iv	116.69 (8)
O16—Fe7—O18	85.31 (13)	O8—Na2—Fe4	81.36 (9)
O8—Fe7—O18	99.72 (12)	O17^iv—Na2—Fe4	76.15 (9)
O14^ix—Fe7—Na1^ix	86.91 (11)	O6—Na2—Fe4	42.54 (8)
O4^ix—Fe7—Na1^ix	141.80 (10)	O16—Na2—Fe4	43.71 (8)
O5^ix—Fe7—Na1^ix	49.17 (10)	O10^iv—Na2—Fe4	137.11 (11)
O16—Fe7—Na1^ix	132.70 (10)	O10—Na2—Fe4	131.21 (10)
O8—Fe7—Na1^ix	90.92 (10)	O20—Na2—Fe4	124.17 (10)
O18—Fe7—Na1^ix	47.51 (10)	O19—Na2—Fe4	136.32 (9)
O14^ix—Fe7—Na2	142.03 (11)	Si4^iv—Na2—Fe4	106.88 (7)
O4^ix—Fe7—Na2	86.34 (10)	O8—Na2—Si1^ii	111.54 (11)
O5^ix—Fe7—Na2	132.67 (10)	O17^iv—Na2—Si1^ii	85.12 (9)
O16—Fe7—Na2	48.46 (10)	O16—Na2—Fe7	38.63 (8)
O8—Fe7—Na2	46.64 (9)	O10^iv—Na2—Fe7	135.08 (11)
O18—Fe7—Na2	89.90 (10)	O10—Na2—Fe7	137.37 (10)
Na1^ix—Fe7—Na2	116.97 (5)	O20—Na2—Fe7	76.90 (8)
O1—Si1—O7^xi	112.51 (17)	O19—Na2—Fe7	88.81 (8)
O1—Si1—O20^xiii	114.19 (17)	Si4^iv—Na2—Fe7	138.92 (8)
O7^xi—Si1—O20^xiii	105.01 (17)	Fe4—Na2—Fe7	57.92 (4)
O1—Si1—O10^xi	110.06 (19)	Si1^ii—Na2—Fe7	106.28 (7)

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