(H3O)2NaAl3F12, isostructural with A2NaAl3F12 (A = K+, Rb+, Cs+) fluorides having HTB-type sheets

Jouffret, L.; Lhoste, J.; Hemon-Ribaud, A.; Leblanc, M.; Maisonneuve, V.

doi:10.1107/S205322961400919X

(H₃O)₂NaAl₃F₁₂, isostructural with A₂NaAl₃F₁₂ (A = K⁺, Rb⁺, Cs⁺) fluorides having HTB-type sheets

L. Jouffret, J. Lhoste, A. Hemon-Ribaud, M. Leblanc and V. Maisonneuve

The title compound, (H₃O)₂NaAl₃F₁₂ [dihydronium sodium trialuminum(III) dodecafluoride], was obtained by solvothermal synthesis from the reaction of aluminium hydroxide, sodium hydroxide, 1,2,4-triazole and aqueous HF in ethanol at 463 K for 48 h. The structure consists of AlF₆ octahedra organized in [AlF₄⁻]_n HTB-type sheets (HTB is hexagonal tungsten bronze) separated by H₃O⁺ and Na⁺ cations.

Keywords: crystal structure; dihydronium sodium trialuminum(III) dodecafluoride; hexagonal tungsten bronze; HTB-type sheets.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S205322961400919X/eg3155sup1.cif Contains datablock I
	Structure factor file (CIF format) https://doi.org/10.1107/S205322961400919X/eg3155Isup2.hkl Contains datablock I

CCDC reference: 999092

Computing details top

Data collection: APEX2 (Bruker, 2013); cell refinement: SAINT-Plus (Bruker, 2013); data reduction: SAINT-Plus (Bruker, 2013); program(s) used to solve structure: SHELXS86 (Sheldrick, 2008) in WinGX (Farrugia, 2012); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008) in WinGX (Farrugia, 2012); molecular graphics: DIAMOND (Brandenburg, 2012); software used to prepare material for publication: WinGX (Farrugia, 2012).

Dihydronium sodium tris(tetrafluoroaluminate) top

Crystal data top

(H₃O)₂NaAl₃F₁₂	Z = 2
M_r = 369.98	F(000) = 360
Monoclinic, P2₁/m	D_x = 2.532 Mg m⁻³
Hall symbol: -P 2yb	Mo Kα radiation, λ = 0.71073 Å
a = 7.0869 (2) Å	µ = 0.61 mm⁻¹
b = 6.9749 (2) Å	T = 120 K
c = 9.8196 (3) Å	Platelet, colourless
β = 91.393 (1)°	0.51 × 0.34 × 0.15 mm
V = 485.24 (2) Å³

Data collection top

Bruker Kappa APEXII CCD diffractometer	1596 independent reflections
Radiation source: fine-focus sealed tube	1570 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.026
Detector resolution: 10.0 pixels mm^-1	θ_max = 30.6°, θ_min = 2.1°
ω and φ scans	h = −10→10
Absorption correction: multi-scan (SHELX76; Sheldrick, 2008)	k = −9→9
T_min = 0.743, T_max = 0.915	l = −14→13
15274 measured reflections

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.028	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.084	All H-atom parameters refined
S = 1.11	w = 1/[σ²(F_o²) + (0.0465P)² + 0.5543P] where P = (F_o² + 2F_c²)/3
1596 reflections	(Δ/σ)_max < 0.001
114 parameters	Δρ_max = 0.39 e Å⁻³
10 restraints	Δρ_min = −1.04 e Å⁻³

Special details top

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 (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Al1	0.5000	0.0000	0.5000	0.00368 (13)
Al2	0.0000	0.5000	0.0000	0.00356 (13)
Al3	0.20623 (7)	0.2500	0.27395 (5)	0.00394 (13)
F1	0.57569 (16)	0.2500	0.50820 (12)	0.0087 (2)
F2	−0.00979 (16)	0.2500	0.36125 (12)	0.0111 (2)
F3	−0.01648 (16)	0.7500	0.05539 (11)	0.0071 (2)
F4	0.41009 (17)	0.2500	0.17982 (12)	0.0111 (2)
F5	0.36266 (12)	0.03081 (13)	0.64495 (8)	0.00953 (17)
F6	0.29629 (11)	0.06482 (11)	0.39041 (8)	0.00725 (16)
F7	−0.22512 (11)	0.45634 (12)	0.06434 (9)	0.01010 (17)
F8	0.10568 (12)	0.44061 (12)	0.16570 (8)	0.00960 (17)
O1	0.0295 (3)	0.2500	0.63603 (18)	0.0216 (4)
H1	−0.005 (4)	0.2500	0.5354 (17)	0.025 (4)*
H2	0.136 (5)	0.162 (5)	0.666 (3)	0.025 (4)*	0.50
H3	−0.037 (5)	0.340 (5)	0.698 (3)	0.025 (4)*	0.50
O2	0.4927 (3)	0.2500	0.8865 (2)	0.0239 (4)
H4	0.393 (4)	0.152 (6)	0.919 (4)	0.025 (4)*	0.50
H5	0.614 (3)	0.2500	0.944 (3)	0.025 (4)*
H6	0.497 (6)	0.318 (6)	0.794 (3)	0.025 (4)*	0.50
Na1	0.71352 (11)	0.2500	0.24193 (8)	0.00535 (15)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Al1	0.0049 (2)	0.0025 (3)	0.0036 (2)	0.00017 (16)	−0.00103 (17)	0.00019 (16)
Al2	0.0047 (2)	0.0025 (3)	0.0034 (2)	−0.00001 (16)	−0.00093 (17)	0.00027 (16)
Al3	0.0045 (2)	0.0036 (2)	0.0037 (2)	0	−0.00152 (18)	0
F1	0.0095 (5)	0.0029 (5)	0.0136 (5)	0	−0.0040 (4)	0
F2	0.0060 (5)	0.0183 (6)	0.0089 (5)	0	0.0004 (4)	0
F3	0.0120 (5)	0.0032 (5)	0.0059 (5)	0	−0.0007 (4)	0
F4	0.0087 (5)	0.0167 (6)	0.0079 (5)	0	0.0011 (4)	0
F5	0.0112 (4)	0.0108 (4)	0.0067 (3)	0.0028 (3)	0.0023 (3)	0.0010 (3)
F6	0.0083 (3)	0.0055 (3)	0.0077 (3)	0.0001 (3)	−0.0040 (3)	0.0018 (3)
F7	0.0080 (4)	0.0075 (4)	0.0150 (4)	−0.0002 (3)	0.0034 (3)	0.0011 (3)
F8	0.0159 (4)	0.0060 (4)	0.0066 (3)	0.0021 (3)	−0.0058 (3)	0.0007 (3)
O1	0.0211 (8)	0.0261 (9)	0.0177 (8)	0	0.0016 (6)	0
O2	0.0254 (9)	0.0251 (9)	0.0210 (8)	0	−0.0037 (7)	0
Na1	0.0048 (3)	0.0056 (3)	0.0057 (3)	0	0.0000 (2)	0

Geometric parameters (Å, º) top

Al1—F5	1.7569 (8)	F1—Al1^v	1.8256 (3)
Al1—F5ⁱ	1.7569 (8)	F1—Na1	2.8133 (15)
Al1—F1ⁱ	1.8256 (3)	F2—Na1^iv	2.2597 (14)
Al1—F1	1.8256 (3)	F3—Al2^vi	1.8312 (3)
Al1—F6ⁱ	1.8361 (7)	F4—Na1	2.2209 (14)
Al1—F6	1.8361 (7)	F5—Na1ⁱ	2.3218 (10)
Al1—Na1	3.4553 (6)	F7—Na1^iv	2.3105 (10)
Al1—Na1ⁱ	3.4553 (6)	O1—H1	1.012 (15)
Al2—F7	1.7568 (8)	O1—H2	1.011 (16)
Al2—F7ⁱⁱ	1.7568 (8)	O1—H3	1.001 (15)
Al2—F8ⁱⁱ	1.8222 (8)	O2—H4	1.040 (18)
Al2—F8	1.8222 (8)	O2—H5	1.019 (17)
Al2—F3ⁱⁱ	1.8312 (3)	O2—H6	1.027 (19)
Al2—F3	1.8312 (3)	Na1—F2^vii	2.2597 (14)
Al3—F4	1.7340 (13)	Na1—F7^viii	2.3105 (10)
Al3—F2	1.7726 (13)	Na1—F7^vii	2.3105 (10)
Al3—F6ⁱⁱⁱ	1.8297 (8)	Na1—F5^v	2.3218 (10)
Al3—F6	1.8297 (8)	Na1—F5ⁱ	2.3218 (10)
Al3—F8ⁱⁱⁱ	1.8354 (9)	Na1—Al1^v	3.4553 (6)
Al3—F8	1.8354 (9)	Na1—Al3^vii	3.4983 (9)
Al3—Na1^iv	3.4983 (9)

F5—Al1—F5ⁱ	180.0	F8—Al3—Na1^iv	64.87 (3)
F5—Al1—F1ⁱ	89.12 (5)	Al1—F1—Al1^v	145.56 (7)
F5ⁱ—Al1—F1ⁱ	90.88 (5)	Al1—F1—Na1	93.86 (4)
F5—Al1—F1	90.88 (5)	Al1^v—F1—Na1	93.86 (4)
F5ⁱ—Al1—F1	89.12 (5)	Al3—F2—Na1^iv	119.87 (6)
F1ⁱ—Al1—F1	180.0	Al2—F3—Al2^vi	144.44 (7)
F5—Al1—F6ⁱ	89.91 (4)	Al3—F4—Na1	131.86 (7)
F5ⁱ—Al1—F6ⁱ	90.09 (4)	Al1—F5—Na1ⁱ	115.10 (5)
F1ⁱ—Al1—F6ⁱ	90.95 (4)	Al3—F6—Al1	142.89 (5)
F1—Al1—F6ⁱ	89.05 (4)	Al2—F7—Na1^iv	124.65 (5)
F5—Al1—F6	90.09 (4)	Al2—F8—Al3	145.81 (5)
F5ⁱ—Al1—F6	89.91 (4)	H1—O1—H2	116.5 (19)
F1ⁱ—Al1—F6	89.05 (4)	H1—O1—H3	119.3 (19)
F1—Al1—F6	90.95 (4)	H2—O1—H3	124 (2)
F6ⁱ—Al1—F6	180.0	H4—O2—H5	113 (2)
F5—Al1—Na1	142.52 (3)	H4—O2—H6	128 (3)
F5ⁱ—Al1—Na1	37.48 (3)	H5—O2—H6	117 (3)
F1ⁱ—Al1—Na1	125.67 (4)	F4—Na1—F2^vii	164.71 (6)
F1—Al1—Na1	54.33 (4)	F4—Na1—F7^viii	89.51 (4)
F6ⁱ—Al1—Na1	101.66 (3)	F2^vii—Na1—F7^viii	102.39 (4)
F6—Al1—Na1	78.34 (3)	F4—Na1—F7^vii	89.51 (4)
F5—Al1—Na1ⁱ	37.48 (3)	F2^vii—Na1—F7^vii	102.39 (4)
F5ⁱ—Al1—Na1ⁱ	142.52 (3)	F7^viii—Na1—F7^vii	77.06 (5)
F1ⁱ—Al1—Na1ⁱ	54.33 (4)	F4—Na1—F5^v	84.06 (3)
F1—Al1—Na1ⁱ	125.67 (4)	F2^vii—Na1—F5^v	87.76 (3)
F6ⁱ—Al1—Na1ⁱ	78.34 (3)	F7^viii—Na1—F5^v	159.52 (4)
F6—Al1—Na1ⁱ	101.66 (3)	F7^vii—Na1—F5^v	83.45 (3)
Na1—Al1—Na1ⁱ	180.0	F4—Na1—F5ⁱ	84.06 (3)
F7—Al2—F7ⁱⁱ	180.00 (6)	F2^vii—Na1—F5ⁱ	87.76 (3)
F7—Al2—F8ⁱⁱ	90.19 (4)	F7^viii—Na1—F5ⁱ	83.45 (3)
F7ⁱⁱ—Al2—F8ⁱⁱ	89.81 (4)	F7^vii—Na1—F5ⁱ	159.52 (4)
F7—Al2—F8	89.81 (4)	F5^v—Na1—F5ⁱ	115.04 (5)
F7ⁱⁱ—Al2—F8	90.19 (4)	F4—Na1—F1	84.23 (4)
F8ⁱⁱ—Al2—F8	180.00 (5)	F2^vii—Na1—F1	80.48 (4)
F7—Al2—F3ⁱⁱ	90.39 (5)	F7^viii—Na1—F1	141.03 (2)
F7ⁱⁱ—Al2—F3ⁱⁱ	89.61 (5)	F7^vii—Na1—F1	141.03 (2)
F8ⁱⁱ—Al2—F3ⁱⁱ	88.80 (4)	F5^v—Na1—F1	57.68 (3)
F8—Al2—F3ⁱⁱ	91.20 (4)	F5ⁱ—Na1—F1	57.68 (3)
F7—Al2—F3	89.61 (5)	F4—Na1—Al1^v	76.29 (3)
F7ⁱⁱ—Al2—F3	90.39 (5)	F2^vii—Na1—Al1^v	90.55 (3)
F8ⁱⁱ—Al2—F3	91.20 (4)	F7^viii—Na1—Al1^v	164.10 (3)
F8—Al2—F3	88.80 (4)	F7^vii—Na1—Al1^v	109.45 (2)
F3ⁱⁱ—Al2—F3	180.00 (7)	F5^v—Na1—Al1^v	27.42 (2)
F4—Al3—F2	176.71 (6)	F5ⁱ—Na1—Al1^v	87.92 (3)
F4—Al3—F6ⁱⁱⁱ	92.90 (4)	F1—Na1—Al1^v	31.813 (10)
F2—Al3—F6ⁱⁱⁱ	89.43 (4)	F4—Na1—Al1	76.29 (3)
F4—Al3—F6	92.90 (4)	F2^vii—Na1—Al1	90.55 (3)
F2—Al3—F6	89.43 (4)	F7^viii—Na1—Al1	109.45 (2)
F6ⁱⁱⁱ—Al3—F6	89.81 (5)	F7^vii—Na1—Al1	164.10 (3)
F4—Al3—F8ⁱⁱⁱ	90.46 (4)	F5^v—Na1—Al1	87.92 (3)
F2—Al3—F8ⁱⁱⁱ	87.27 (4)	F5ⁱ—Na1—Al1	27.42 (2)
F6ⁱⁱⁱ—Al3—F8ⁱⁱⁱ	176.34 (5)	F1—Na1—Al1	31.813 (10)
F6—Al3—F8ⁱⁱⁱ	88.58 (4)	Al1^v—Na1—Al1	60.617 (13)
F4—Al3—F8	90.46 (4)	F4—Na1—Al3^vii	169.22 (4)
F2—Al3—F8	87.27 (4)	F2^vii—Na1—Al3^vii	26.07 (3)
F6ⁱⁱⁱ—Al3—F8	88.58 (4)	F7^viii—Na1—Al3^vii	82.07 (3)
F6—Al3—F8	176.34 (5)	F7^vii—Na1—Al3^vii	82.07 (3)
F8ⁱⁱⁱ—Al3—F8	92.83 (5)	F5^v—Na1—Al3^vii	101.55 (3)
F4—Al3—Na1^iv	142.64 (5)	F5ⁱ—Na1—Al3^vii	101.55 (3)
F2—Al3—Na1^iv	34.07 (4)	F1—Na1—Al3^vii	106.55 (3)
F6ⁱⁱⁱ—Al3—Na1^iv	112.86 (3)	Al1^v—Na1—Al3^vii	112.83 (2)
F6—Al3—Na1^iv	112.86 (3)	Al1—Na1—Al3^vii	112.83 (2)
F8ⁱⁱⁱ—Al3—Na1^iv	64.87 (3)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···F2	1.01 (2)	1.71 (2)	2.706 (2)	167 (3)
O1—H2···F5	1.01 (3)	1.86 (4)	2.812 (2)	155 (3)
O1—H3···F8^ix	1.00 (3)	2.10 (3)	3.0750 (16)	165 (3)
O2—H4···F7^x	1.04 (4)	1.82 (4)	2.8406 (17)	166 (3)
O2—H5···F7^xi	1.02 (2)	2.17 (2)	2.992 (2)	137 (1)
O2—H5···F7^xii	1.02 (2)	2.17 (2)	2.992 (2)	137 (1)
O2—H6···F5ⁱⁱⁱ	1.03 (3)	2.02 (4)	2.9507 (19)	149 (3)

Symmetry codes: (iii) x, −y+1/2, z; (ix) −x, −y+1, −z+1; (x) −x, y−1/2, −z+1; (xi) x+1, y, z+1; (xii) x+1, −y+1/2, z+1.

Unit-cell comparisons of the A₂NaAl₃F₁₂ series (A = Cs⁺, Rb⁺, K⁺, H₃O⁺) in the P2₁/m space group, interlayer distances (d) and relative shift of successive HTB layers. top

	Cs⁺	Rb⁺	K⁺	H₃O⁺ (120 K)	H₃O⁺ (room temperature)
a_M (Å)	14.052 (8)	12.046 (6)	11.882 (7)	12.0398 (4)	12.0758 (8)
b_M (Å)	7.026 (4)	6.984 (4)	6.983 (4)	6.9749 (2)	6.9864 (5)
c_M (Å)	7.214 (2)	7.093 (4)	6.942 (4)	7.0869 (2)	7.1117 (5)
β_M (°)	120.88 (1)	125.04 (4)	125.59 (3)	126.05	126.08
d (Å)	6.0810	5.8074	5.6453	5.8123	5.8356
Shift (Å)	4.0568	4.0724	4.0401	4.0548	4.0647

Atomic parameters of (H₃O)₂NaAl₃F₁₂. top

Atom	Ox.	Wyck.	Site	S.O.F.	x/a	y/b	z/c	Uiso eq. [Å²]
Al1	3	2d	-1		½	0	½	0.00369 (14)
Al2	3	2a	-1		0	½	0	0.00355 (14)
Al3	3	2e	m		0.20623 (7)	¼	0.27395 (5)	0.00396 (12)
F1	-1	2e	m		0.57569 (16)	¼	0.50820 (12)	0.0087 (3)
F2	-1	2e	m		-0.00979 (16)	¼	0.36125 (12)	0.0111 (3)
F3	-1	2e	m		-0.01648 (16)	¾	0.05539 (11)	0.0070 (3)
F4	-1	2e	m		0.41009 (17)	¼	0.17982 (12)	0.0111 (3)
F5	-1	4f	1		0.36266 (12)	0.03081 (13)	0.64495 (8)	0.0095 (2)
F6	-1	4f	1		0.29629 (11)	0.06482 (11)	0.39041 (8)	0.00723 (17)
F7	-1	4f	1		-0.22512 (11)	0.45634 (12)	0.06434 (9)	0.0101 (2)
F8	-1	4f	1		0.10568 (12)	0.44061 (12)	0.16570 (8)	0.0096 (2)
O1	-2	2e	m		0.0295 (3)	¼	0.63603 (18)	0.0216 (5)
H1	1	2e	m		-0.005 (4)	¼	0.5354 (17)	0.025 (4)
H2	1	4f	1	0.5	0.136 (5)	0.162 (5)	0.666 (3)	0.025 (4)
H3	1	4f	1	0.5	-0.037 (5)	0.340 (5)	0.698 (3)	0.025 (4)
O2	-2	2e	m		0.4927 (3)	¼	0.8865 (2)	0.0239 (5)
H4	-2	4f	1	0.5	0.393 (4)	0.152 (6)	0.919 (4)	0.025 (4)
H5	-2	2e	m		0.614 (3)	¼	0.944 (3)	0.025 (4)
H6	-2	4f	1	0.5	0.497 (6)	0.318 (6)	0.794 (3)	0.025 (4)
Na1	1	2e	m		0.71352 (11)	¼	0.24193 (8)	0.00537 (17)

Tilt angle (°) comparison in the A₂NaAl₃F₁₂ series (A = Cs⁺, Rb⁺, K⁺, H₃O⁺). top

	Tilt angle for Al1–Al2–Al3 octahedra
HTB–AlF₃	13.7
Cs⁺	4.3
Rb⁺	19.7 - 14.3 - 3.5
K⁺	23.4 - 21.4 - 1.8
H₃O⁺ (120 K)	20.6 - 16.6 - 6.6

Selected distances (Å) of (H₃O)₂NaAl₃F₁₂ top

Al1—F5	2x 1.7569 (8)	F1—Na1	2.8133 (14)
Al1—F1	2x 1.8256 (3)	F2—Na1	2.2597 (14)
Al1—F6	2x 1.8361 (7)	F3—Na1	3.6658 (14)
Al2—F7	2x 1.7568 (8)	F4—Na1	2.2209 (14)
Al2—F8	2x 1.8222 (8)	F5—Na1	2.3218 (10)
Al2—F3	2x 1.8312 (3)	F6—Na1	3.5703 (11)
Al3—F6	2x 1.8297 (8)	F7—Na1	2.3105 (11)
Al3—F8	2x 1.8354 (9)	F8—Na1	3.1864 (11)
Al3—F4	1.7340 (13)
Al3—F2	1.7726 (13)

Chosen angles (°) of (H₃O)₂NaAl₃F₁₂ top

F1—Al1—F6	90.95 (4)	F4—Al3—F2	176.71 (6)
F5—Al1—F1	90.88 (5)	F4—Al3—F6	92.90 (4)
F5—Al1—F6	90.09 (4)	F2—Al3—F6	89.43 (4)
F7—Al2—F8	89.81 (4)	F4—Al3—F8	90.46 (4)
F7—Al2—F3	89.61 (5)	F2—Al3—F8	87.27 (4)
F8—Al2—F3	88.80 (4)	F6—Al3—F8	176.34 (5)

Calculated bond valence values in (H₃O)₂NaAl₃F₁₂. top

Al1	2.97	F1	0.94	Na1	1.15
Al2	2.99	F2	0.75
Al3	2.98	F3	0.93
		F4	0.83
		F5	0.74
		F6	0.92
		F7	0.75
		F8	0.93

Description of structurally related fluorides in terms of HTB layers, connecting entities and the nature of the groups inserted in the cavities. top

	HTB layers	Connecting entities	Cavities
AM^IIM^IIIF₆ pyrochlore	[(M^II_0.5M^III_0.5)₃F₁₂]	M^II_0.5M^III_0.5	A
(H₂O)M₂F₆ pyrochlore	[M^III₃F₁₂]	M^III	H₂O
A₂M^IVCu₃F₁₂	[Cu₃F₁₂]	M^IV	A
A₂M^IIM^IIIF₇ weberites	[(M^IIIF₂F_4/2)(M^IIF₂F_4/2)]	(M^IIIF₂)	A
M^IIM^IIIF₅(H₂O)₂ weberites	[(M^IIIF₂F_4/2)₂(M^IIF_4/2(H₂O)₂)]	M^II(H₂O)₂
(H₂O)_0.33MF₃	[M^IIIF₂F_4/2]	F_axial	H₂O
Fe^III₂M^IIF₈(H₂O)₂	[(Fe^IIIF₂F_4/2)(M^IIF_4/2(H₂O)₂)]	F_axial

Hydrogen bonding in (H₃O)₂NaAl₃F₁₂. top

D	H	A	D—H	H···A	D···A	D-H···A angle
O1	H1	F2	1.012 (17)	1.710 (17)	2.706 (2)	167 (3)
O1	H2	F5	1.01 (3)	1.86 (4)	2.812 (2)	155 (3)
O1	H3	F8	1.00 (3)	2.10 (3)	3.0750 (16)	165 (3)
O2	H4	F7	1.04 (4)	1.82 (4)	2.8406 (17)	166 (3)
O2	H5	F7	1.02 (2)	2.168 (19)	2.992 (2)	136.8 (6)
O2	H5	F7	1.02 (2)	2.168 (19)	2.992 (2)	136.8 (6)
O2	H6	F5	1.03 (3)	2.02 (4)	2.9507 (19)	149 (3)

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Format		BIBTeX
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		CIF
		SGML
		Text
		Plain Text

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