Li₉Al₄Sn₅ as a new ordered superstructure of the Li₁₃Sn₅ type

Alloys from the ternary Li–Al–Sn system have been investigated with respect to possible applications as negative electrode materials in Li-ion batteries. This led to the discovery of a new ternary compound, a superstructure of the Li₁₃Sn₅ binary compound. The ternary stannide, Li₉Al₄Sn₅ (nona­lithium tetra­aluminium penta­stannide; trigonal, Pm1, hP18), crystallizes as a new structure type, which is an ordered variant of the binary Li₁₃Sn₅ structure type. One Li and one Sn site have m. symmetry, and all other atoms occupy sites of 3m. symmetry. The polyhedra around all types of atoms are rhombic dodeca­hedra. The electronic structure was calculated by the tight-binding linear muffin-tin orbital atomic spheres approximation method. The electron concentration is higher around the Sn and Al atoms, which form an [Al₄Sn₅]^m− polyanion.

Computing details

Data collection: CrysAlis CCD (Oxford Diffraction, 2008); cell refinement: CrysAlis CCD (Oxford Diffraction, 2008); data reduction: CrysAlis RED (Oxford Diffraction, 2008); program(s) used to solve structure: SHELXS2014 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL2014 (Sheldrick, 2015).

Nonalithium tetraaluminium pentastannide

Crystal data

Li9Al4Sn5	Dx = 3.855 Mg m^−3 Dm = 3.86 (2) Mg m^−3 Dm measured by volumetric
Mr = 763.93	Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3m1	Cell parameters from 352 reflections
a = 4.7170 (7) Å	θ = 2.4–27.4°
c = 17.077 (3) Å	µ = 9.57 mm^−1
V = 329.06 (12) Å^3	T = 293 K
Z = 1	Plate, metallic grey
F(000) = 329	0.07 × 0.06 × 0.01 mm

Data collection

Oxford Diffraction Xcalibur3 CCD diffractometer	324 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.074
ω scans	θmax = 27.4°, θmin = 2.4°
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2008)	h = −6→6
Tmin = 0.520, Tmax = 0.901	k = −6→6
3006 measured reflections	l = −22→22
352 independent reflections

Refinement

Refinement on F^2	24 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.021	w = 1/[σ^2(Fo^2) + (0.001P)^2 + 0.0017P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.066	(Δ/σ)max = 0.002
S = 1.10	Δρmax = 1.27 e Å^−3
352 reflections	Δρmin = −1.24 e Å^−3

Special details

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.

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

	x	y	z	Uiso*/Ueq
Sn1	0.6667	0.3333	0.38861 (4)	0.0166 (2)
Sn2	0.6667	0.3333	0.22148 (4)	0.0167 (2)
Sn3	0.0000	0.0000	0.0000	0.0109 (3)
Al1	0.6667	0.3333	0.55327 (17)	0.0129 (6)
Al2	0.0000	0.0000	0.16567 (18)	0.0238 (8)
Li1	0.6667	0.3333	0.0701 (11)	0.023 (4)*
Li2	0.6667	0.3333	0.7209 (9)	0.012 (3)*
Li3	0.6667	0.3333	0.8807 (16)	0.056 (8)*
Li4	0.0000	0.0000	0.5000	0.020 (6)*
Li5	0.0000	0.0000	0.3309 (9)	0.012 (3)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sn1	0.0158 (3)	0.0158 (3)	0.0184 (3)	0.00788 (15)	0.000	0.000
Sn2	0.0167 (3)	0.0167 (3)	0.0166 (3)	0.00837 (14)	0.000	0.000
Sn3	0.0112 (4)	0.0112 (4)	0.0102 (4)	0.00560 (18)	0.000	0.000
Al1	0.0098 (9)	0.0098 (9)	0.0192 (14)	0.0049 (5)	0.000	0.000
Al2	0.0301 (12)	0.0301 (12)	0.0110 (13)	0.0151 (6)	0.000	0.000

Geometric parameters (Å, º)

Sn1—Al1	2.812 (3)	Al2—Li1^ix	3.175 (10)
Sn1—Sn2	2.8541 (12)	Al2—Li1	3.175 (10)
Sn1—Li5^i	2.896 (5)	Li1—Li3^iii	2.850 (9)
Sn1—Li5^ii	2.896 (5)	Li1—Li3^iv	2.850 (9)
Sn1—Li5	2.896 (5)	Li1—Li3^v	2.850 (9)
Sn1—Al1^iii	2.8985 (11)	Li1—Sn3^i	2.975 (8)
Sn1—Al1^iv	2.8986 (11)	Li1—Sn3^ii	2.975 (8)
Sn1—Al1^v	2.8986 (11)	Li1—Al2^i	3.175 (10)
Sn1—Li2^iii	3.303 (9)	Li1—Al2^ii	3.175 (10)
Sn1—Li2^v	3.304 (9)	Li1—Li3^xiii	3.24 (4)
Sn1—Li2^iv	3.304 (9)	Li2—Li3	2.73 (3)
Sn1—Li4^i	3.3219 (5)	Li2—Li5^v	2.863 (7)
Sn2—Li1	2.585 (19)	Li2—Li5^xii	2.863 (7)
Sn2—Al2	2.8853 (11)	Li2—Li5^iii	2.863 (7)
Sn2—Al2^i	2.8853 (11)	Li2—Sn2^iii	2.896 (5)
Sn2—Al2^ii	2.8853 (11)	Li2—Sn2^iv	2.896 (5)
Sn2—Li2^iii	2.896 (5)	Li2—Sn2^v	2.896 (5)
Sn2—Li2^iv	2.896 (5)	Li2—Sn1^iii	3.304 (9)
Sn2—Li2^v	2.896 (5)	Li2—Sn1^v	3.304 (9)
Sn2—Li3^iii	3.234 (15)	Li2—Sn1^iv	3.304 (9)
Sn2—Li3^v	3.234 (15)	Li3—Al2^v	2.836 (8)
Sn2—Li3^iv	3.234 (15)	Li3—Al2^xii	2.836 (8)
Sn2—Li5	3.303 (9)	Li3—Al2^iii	2.836 (8)
Sn3—Al2^vi	2.829 (3)	Li3—Li1^iii	2.850 (9)
Sn3—Al2	2.829 (3)	Li3—Li1^iv	2.850 (9)
Sn3—Li1	2.975 (8)	Li3—Li1^v	2.850 (9)
Sn3—Li1^vi	2.975 (8)	Li3—Sn2^iii	3.234 (15)
Sn3—Li1^vii	2.975 (8)	Li3—Sn2^v	3.234 (15)
Sn3—Li1^viii	2.975 (8)	Li3—Sn2^iv	3.234 (15)
Sn3—Li1^ix	2.975 (8)	Li3—Li1^xiv	3.24 (4)
Sn3—Li1^x	2.975 (8)	Li3—Sn3^xv	3.402 (16)
Sn3—Li3^iii	3.401 (16)	Li4—Al1^xii	2.8713 (10)
Sn3—Li3^xi	3.401 (16)	Li4—Al1^iii	2.8713 (10)
Sn3—Li3^xii	3.401 (16)	Li4—Al1^viii	2.8713 (10)
Sn3—Li3^xiii	3.401 (16)	Li4—Al1^v	2.8713 (10)
Al1—Li2	2.862 (16)	Li4—Al1^ix	2.8713 (10)
Al1—Li4^i	2.8713 (10)	Li4—Li5^xii	2.888 (16)
Al1—Li4	2.8713 (10)	Li4—Li5	2.888 (16)
Al1—Li4^ii	2.8713 (10)	Li4—Sn1^iii	3.3219 (5)
Al1—Sn1^iii	2.8986 (11)	Li4—Sn1^viii	3.3219 (5)
Al1—Sn1^iv	2.8986 (11)	Li4—Sn1^xii	3.3219 (5)
Al1—Sn1^v	2.8986 (11)	Li5—Li2^xii	2.863 (7)
Al2—Li5	2.822 (16)	Li5—Li2^iii	2.863 (7)
Al2—Li3^xii	2.836 (8)	Li5—Li2^v	2.863 (7)
Al2—Li3^iii	2.836 (8)	Li5—Sn1^viii	2.896 (5)
Al2—Li3^v	2.836 (8)	Li5—Sn1^ix	2.896 (5)
Al2—Sn2^viii	2.8853 (11)	Li5—Sn2^viii	3.303 (9)
Al2—Sn2^ix	2.8853 (11)	Li5—Sn2^ix	3.303 (9)
Al2—Li1^viii	3.175 (10)
Al1—Sn1—Sn2	180.0	Li3^iv—Li1—Sn3^i	71.4 (3)
Al1—Sn1—Li5^i	109.9 (3)	Li3^v—Li1—Sn3^i	71.4 (3)
Sn2—Sn1—Li5^i	70.1 (3)	Sn2—Li1—Sn3	113.7 (3)
Al1—Sn1—Li5^ii	109.9 (3)	Li3^iii—Li1—Sn3	71.4 (3)
Sn2—Sn1—Li5^ii	70.1 (3)	Li3^iv—Li1—Sn3	173.4 (8)
Li5^i—Sn1—Li5^ii	109.0 (3)	Li3^v—Li1—Sn3	71.4 (3)
Al1—Sn1—Li5	109.9 (3)	Sn3^i—Li1—Sn3	104.9 (4)
Sn2—Sn1—Li5	70.1 (3)	Sn2—Li1—Sn3^ii	113.7 (3)
Li5^i—Sn1—Li5	109.0 (3)	Li3^iii—Li1—Sn3^ii	71.4 (3)
Li5^ii—Sn1—Li5	109.0 (3)	Li3^iv—Li1—Sn3^ii	71.4 (3)
Al1—Sn1—Al1^iii	69.98 (5)	Li3^v—Li1—Sn3^ii	173.4 (8)
Sn2—Sn1—Al1^iii	110.02 (5)	Sn3^i—Li1—Sn3^ii	104.9 (4)
Li5^i—Sn1—Al1^iii	179.9 (3)	Sn3—Li1—Sn3^ii	104.9 (4)
Li5^ii—Sn1—Al1^iii	71.02 (16)	Sn2—Li1—Al2^i	59.1 (3)
Li5—Sn1—Al1^iii	71.02 (16)	Li3^iii—Li1—Al2^i	131.9 (8)
Al1—Sn1—Al1^iv	69.98 (5)	Li3^iv—Li1—Al2^i	55.8 (3)
Sn2—Sn1—Al1^iv	110.02 (5)	Li3^v—Li1—Al2^i	55.8 (3)
Li5^i—Sn1—Al1^iv	71.02 (16)	Sn3^i—Li1—Al2^i	54.66 (6)
Li5^ii—Sn1—Al1^iv	71.02 (16)	Sn3—Li1—Al2^i	126.83 (8)
Li5—Sn1—Al1^iv	179.9 (3)	Sn3^ii—Li1—Al2^i	126.83 (8)
Al1^iii—Sn1—Al1^iv	108.91 (6)	Sn2—Li1—Al2^ii	59.1 (3)
Al1—Sn1—Al1^v	69.98 (5)	Li3^iii—Li1—Al2^ii	55.8 (3)
Sn2—Sn1—Al1^v	110.02 (5)	Li3^iv—Li1—Al2^ii	55.8 (3)
Li5^i—Sn1—Al1^v	71.02 (16)	Li3^v—Li1—Al2^ii	131.9 (8)
Li5^ii—Sn1—Al1^v	179.9 (3)	Sn3^i—Li1—Al2^ii	126.83 (8)
Li5—Sn1—Al1^v	71.02 (16)	Sn3—Li1—Al2^ii	126.83 (8)
Al1^iii—Sn1—Al1^v	108.91 (6)	Sn3^ii—Li1—Al2^ii	54.66 (6)
Al1^iv—Sn1—Al1^v	108.91 (6)	Al2^i—Li1—Al2^ii	96.0 (4)
Al1—Sn1—Li2^iii	124.5 (2)	Sn2—Li1—Al2	59.1 (3)
Sn2—Sn1—Li2^iii	55.5 (2)	Li3^iii—Li1—Al2	55.8 (3)
Li5^i—Sn1—Li2^iii	125.6 (4)	Li3^iv—Li1—Al2	131.9 (8)
Li5^ii—Sn1—Li2^iii	54.53 (14)	Li3^v—Li1—Al2	55.8 (3)
Li5—Sn1—Li2^iii	54.53 (14)	Sn3^i—Li1—Al2	126.83 (8)
Al1^iii—Sn1—Li2^iii	54.5 (2)	Sn3—Li1—Al2	54.66 (6)
Al1^iv—Sn1—Li2^iii	125.53 (3)	Sn3^ii—Li1—Al2	126.83 (8)
Al1^v—Sn1—Li2^iii	125.53 (3)	Al2^i—Li1—Al2	96.0 (4)
Al1—Sn1—Li2^v	124.5 (2)	Al2^ii—Li1—Al2	96.0 (4)
Sn2—Sn1—Li2^v	55.5 (2)	Sn2—Li1—Li3^xiii	180.0
Li5^i—Sn1—Li2^v	54.53 (14)	Li3^iii—Li1—Li3^xiii	107.1 (6)
Li5^ii—Sn1—Li2^v	125.6 (4)	Li3^iv—Li1—Li3^xiii	107.1 (6)
Li5—Sn1—Li2^v	54.53 (14)	Li3^v—Li1—Li3^xiii	107.1 (6)
Al1^iii—Sn1—Li2^v	125.53 (3)	Sn3^i—Li1—Li3^xiii	66.3 (3)
Al1^iv—Sn1—Li2^v	125.53 (3)	Sn3—Li1—Li3^xiii	66.3 (3)
Al1^v—Sn1—Li2^v	54.5 (2)	Sn3^ii—Li1—Li3^xiii	66.3 (3)
Li2^iii—Sn1—Li2^v	91.1 (3)	Al2^i—Li1—Li3^xiii	120.9 (3)
Al1—Sn1—Li2^iv	124.5 (2)	Al2^ii—Li1—Li3^xiii	120.9 (3)
Sn2—Sn1—Li2^iv	55.5 (2)	Al2—Li1—Li3^xiii	120.9 (3)
Li5^i—Sn1—Li2^iv	54.53 (14)	Li3—Li2—Li5^v	108.0 (4)
Li5^ii—Sn1—Li2^iv	54.53 (14)	Li3—Li2—Li5^xii	108.0 (4)
Li5—Sn1—Li2^iv	125.6 (4)	Li5^v—Li2—Li5^xii	110.9 (4)
Al1^iii—Sn1—Li2^iv	125.53 (3)	Li3—Li2—Li5^iii	108.0 (4)
Al1^iv—Sn1—Li2^iv	54.5 (2)	Li5^v—Li2—Li5^iii	110.9 (4)
Al1^v—Sn1—Li2^iv	125.53 (3)	Li5^xii—Li2—Li5^iii	110.9 (4)
Li2^iii—Sn1—Li2^iv	91.1 (3)	Li3—Li2—Al1	180.0
Li2^v—Sn1—Li2^iv	91.1 (3)	Li5^v—Li2—Al1	72.0 (4)
Al1—Sn1—Li4^i	55.067 (12)	Li5^xii—Li2—Al1	72.0 (4)
Sn2—Sn1—Li4^i	124.933 (12)	Li5^iii—Li2—Al1	72.0 (4)
Li5^i—Sn1—Li4^i	54.8 (3)	Li3—Li2—Sn2^iii	70.1 (3)
Li5^ii—Sn1—Li4^i	125.47 (15)	Li5^v—Li2—Sn2^iii	178.1 (7)
Li5—Sn1—Li4^i	125.47 (15)	Li5^xii—Li2—Sn2^iii	69.98 (15)
Al1^iii—Sn1—Li4^i	125.04 (6)	Li5^iii—Li2—Sn2^iii	69.98 (15)
Al1^iv—Sn1—Li4^i	54.47 (3)	Al1—Li2—Sn2^iii	109.9 (3)
Al1^v—Sn1—Li4^i	54.47 (3)	Li3—Li2—Sn2^iv	70.1 (3)
Li2^iii—Sn1—Li4^i	179.5 (2)	Li5^v—Li2—Sn2^iv	69.98 (15)
Li2^v—Sn1—Li4^i	89.21 (16)	Li5^xii—Li2—Sn2^iv	178.1 (7)
Li2^iv—Sn1—Li4^i	89.21 (16)	Li5^iii—Li2—Sn2^iv	69.98 (15)
Li1—Sn2—Sn1	180.0	Al1—Li2—Sn2^iv	109.9 (3)
Li1—Sn2—Al2	70.71 (6)	Sn2^iii—Li2—Sn2^iv	109.1 (3)
Sn1—Sn2—Al2	109.29 (6)	Li3—Li2—Sn2^v	70.1 (3)
Li1—Sn2—Al2^i	70.71 (6)	Li5^v—Li2—Sn2^v	69.98 (15)
Sn1—Sn2—Al2^i	109.29 (6)	Li5^xii—Li2—Sn2^v	69.98 (15)
Al2—Sn2—Al2^i	109.65 (6)	Li5^iii—Li2—Sn2^v	178.1 (7)
Li1—Sn2—Al2^ii	70.71 (6)	Al1—Li2—Sn2^v	109.9 (3)
Sn1—Sn2—Al2^ii	109.29 (6)	Sn2^iii—Li2—Sn2^v	109.1 (3)
Al2—Sn2—Al2^ii	109.65 (6)	Sn2^iv—Li2—Sn2^v	109.1 (3)
Al2^i—Sn2—Al2^ii	109.65 (6)	Li3—Li2—Sn1^iii	124.5 (2)
Li1—Sn2—Li2^iii	109.9 (3)	Li5^v—Li2—Sn1^iii	127.5 (6)
Sn1—Sn2—Li2^iii	70.1 (3)	Li5^xii—Li2—Sn1^iii	55.5 (2)
Al2—Sn2—Li2^iii	70.64 (15)	Li5^iii—Li2—Sn1^iii	55.5 (2)
Al2^i—Sn2—Li2^iii	179.4 (3)	Al1—Li2—Sn1^iii	55.5 (2)
Al2^ii—Sn2—Li2^iii	70.64 (15)	Sn2^iii—Li2—Sn1^iii	54.34 (7)
Li1—Sn2—Li2^iv	109.9 (3)	Sn2^iv—Li2—Sn1^iii	125.45 (14)
Sn1—Sn2—Li2^iv	70.1 (3)	Sn2^v—Li2—Sn1^iii	125.45 (14)
Al2—Sn2—Li2^iv	179.4 (3)	Li3—Li2—Sn1^v	124.5 (2)
Al2^i—Sn2—Li2^iv	70.64 (15)	Li5^v—Li2—Sn1^v	55.5 (2)
Al2^ii—Sn2—Li2^iv	70.64 (15)	Li5^xii—Li2—Sn1^v	55.5 (2)
Li2^iii—Sn2—Li2^iv	109.1 (3)	Li5^iii—Li2—Sn1^v	127.5 (6)
Li1—Sn2—Li2^v	109.9 (3)	Al1—Li2—Sn1^v	55.5 (2)
Sn1—Sn2—Li2^v	70.1 (3)	Sn2^iii—Li2—Sn1^v	125.45 (14)
Al2—Sn2—Li2^v	70.64 (15)	Sn2^iv—Li2—Sn1^v	125.45 (14)
Al2^i—Sn2—Li2^v	70.64 (15)	Sn2^v—Li2—Sn1^v	54.34 (7)
Al2^ii—Sn2—Li2^v	179.4 (3)	Sn1^iii—Li2—Sn1^v	91.1 (3)
Li2^iii—Sn2—Li2^v	109.1 (3)	Li3—Li2—Sn1^iv	124.5 (2)
Li2^iv—Sn2—Li2^v	109.1 (3)	Li5^v—Li2—Sn1^iv	55.5 (2)
Li1—Sn2—Li3^iii	57.4 (4)	Li5^xii—Li2—Sn1^iv	127.5 (6)
Sn1—Sn2—Li3^iii	122.6 (4)	Li5^iii—Li2—Sn1^iv	55.5 (2)
Al2—Sn2—Li3^iii	54.86 (3)	Al1—Li2—Sn1^iv	55.5 (2)
Al2^i—Sn2—Li3^iii	128.1 (4)	Sn2^iii—Li2—Sn1^iv	125.45 (14)
Al2^ii—Sn2—Li3^iii	54.86 (3)	Sn2^iv—Li2—Sn1^iv	54.34 (7)
Li2^iii—Sn2—Li3^iii	52.5 (5)	Sn2^v—Li2—Sn1^iv	125.45 (14)
Li2^iv—Sn2—Li3^iii	125.40 (13)	Sn1^iii—Li2—Sn1^iv	91.1 (3)
Li2^v—Sn2—Li3^iii	125.40 (13)	Sn1^v—Li2—Sn1^iv	91.1 (3)
Li1—Sn2—Li3^v	57.4 (4)	Li2—Li3—Al2^v	73.8 (5)
Sn1—Sn2—Li3^v	122.6 (4)	Li2—Li3—Al2^xii	73.8 (5)
Al2—Sn2—Li3^v	54.86 (3)	Al2^v—Li3—Al2^xii	112.5 (5)
Al2^i—Sn2—Li3^v	54.86 (3)	Li2—Li3—Al2^iii	73.8 (5)
Al2^ii—Sn2—Li3^v	128.1 (4)	Al2^v—Li3—Al2^iii	112.5 (5)
Li2^iii—Sn2—Li3^v	125.40 (13)	Al2^xii—Li3—Al2^iii	112.5 (5)
Li2^iv—Sn2—Li3^v	125.40 (13)	Li2—Li3—Li1^iii	107.1 (6)
Li2^v—Sn2—Li3^v	52.5 (5)	Al2^v—Li3—Li1^iii	179.0 (11)
Li3^iii—Sn2—Li3^v	93.7 (6)	Al2^xii—Li3—Li1^iii	67.88 (16)
Li1—Sn2—Li3^iv	57.4 (4)	Al2^iii—Li3—Li1^iii	67.88 (16)
Sn1—Sn2—Li3^iv	122.6 (4)	Li2—Li3—Li1^iv	107.1 (6)
Al2—Sn2—Li3^iv	128.1 (4)	Al2^v—Li3—Li1^iv	67.88 (16)
Al2^i—Sn2—Li3^iv	54.86 (3)	Al2^xii—Li3—Li1^iv	179.0 (11)
Al2^ii—Sn2—Li3^iv	54.86 (3)	Al2^iii—Li3—Li1^iv	67.88 (16)
Li2^iii—Sn2—Li3^iv	125.40 (13)	Li1^iii—Li3—Li1^iv	111.7 (5)
Li2^iv—Sn2—Li3^iv	52.5 (5)	Li2—Li3—Li1^v	107.1 (6)
Li2^v—Sn2—Li3^iv	125.40 (13)	Al2^v—Li3—Li1^v	67.88 (16)
Li3^iii—Sn2—Li3^iv	93.7 (6)	Al2^xii—Li3—Li1^v	67.88 (16)
Li3^v—Sn2—Li3^iv	93.7 (6)	Al2^iii—Li3—Li1^v	179.0 (11)
Li1—Sn2—Li5	124.5 (2)	Li1^iii—Li3—Li1^v	111.7 (5)
Sn1—Sn2—Li5	55.5 (2)	Li1^iv—Li3—Li1^v	111.7 (5)
Al2—Sn2—Li5	53.7 (2)	Li2—Li3—Sn2^iii	57.4 (4)
Al2^i—Sn2—Li5	125.17 (3)	Al2^v—Li3—Sn2^iii	131.2 (9)
Al2^ii—Sn2—Li5	125.17 (3)	Al2^xii—Li3—Sn2^iii	56.3 (2)
Li2^iii—Sn2—Li5	54.55 (14)	Al2^iii—Li3—Sn2^iii	56.3 (2)
Li2^iv—Sn2—Li5	125.7 (4)	Li1^iii—Li3—Sn2^iii	49.8 (4)
Li2^v—Sn2—Li5	54.55 (14)	Li1^iv—Li3—Sn2^iii	124.1 (3)
Li3^iii—Sn2—Li5	87.6 (3)	Li1^v—Li3—Sn2^iii	124.1 (3)
Li3^v—Sn2—Li5	87.6 (3)	Li2—Li3—Sn2^v	57.4 (4)
Li3^iv—Sn2—Li5	178.2 (5)	Al2^v—Li3—Sn2^v	56.3 (2)
Al2^vi—Sn3—Al2	180.0	Al2^xii—Li3—Sn2^v	56.3 (2)
Al2^vi—Sn3—Li1	113.7 (3)	Al2^iii—Li3—Sn2^v	131.2 (9)
Al2—Sn3—Li1	66.3 (3)	Li1^iii—Li3—Sn2^v	124.1 (3)
Al2^vi—Sn3—Li1^vi	66.3 (3)	Li1^iv—Li3—Sn2^v	124.1 (3)
Al2—Sn3—Li1^vi	113.7 (3)	Li1^v—Li3—Sn2^v	49.8 (4)
Li1—Sn3—Li1^vi	180.0	Sn2^iii—Li3—Sn2^v	93.7 (6)
Al2^vi—Sn3—Li1^vii	66.3 (3)	Li2—Li3—Sn2^iv	57.4 (4)
Al2—Sn3—Li1^vii	113.7 (3)	Al2^v—Li3—Sn2^iv	56.3 (2)
Li1—Sn3—Li1^vii	75.1 (4)	Al2^xii—Li3—Sn2^iv	131.2 (9)
Li1^vi—Sn3—Li1^vii	104.9 (4)	Al2^iii—Li3—Sn2^iv	56.3 (2)
Al2^vi—Sn3—Li1^viii	113.7 (3)	Li1^iii—Li3—Sn2^iv	124.1 (3)
Al2—Sn3—Li1^viii	66.3 (3)	Li1^iv—Li3—Sn2^iv	49.8 (4)
Li1—Sn3—Li1^viii	104.9 (4)	Li1^v—Li3—Sn2^iv	124.1 (3)
Li1^vi—Sn3—Li1^viii	75.1 (4)	Sn2^iii—Li3—Sn2^iv	93.7 (6)
Li1^vii—Sn3—Li1^viii	180.0 (7)	Sn2^v—Li3—Sn2^iv	93.7 (6)
Al2^vi—Sn3—Li1^ix	113.7 (3)	Li2—Li3—Li1^xiv	180.0
Al2—Sn3—Li1^ix	66.3 (3)	Al2^v—Li3—Li1^xiv	106.2 (5)
Li1—Sn3—Li1^ix	104.9 (4)	Al2^xii—Li3—Li1^xiv	106.2 (5)
Li1^vi—Sn3—Li1^ix	75.1 (4)	Al2^iii—Li3—Li1^xiv	106.2 (5)
Li1^vii—Sn3—Li1^ix	75.1 (4)	Li1^iii—Li3—Li1^xiv	72.9 (6)
Li1^viii—Sn3—Li1^ix	104.9 (4)	Li1^iv—Li3—Li1^xiv	72.9 (6)
Al2^vi—Sn3—Li1^x	66.3 (3)	Li1^v—Li3—Li1^xiv	72.9 (6)
Al2—Sn3—Li1^x	113.7 (3)	Sn2^iii—Li3—Li1^xiv	122.6 (4)
Li1—Sn3—Li1^x	75.1 (4)	Sn2^v—Li3—Li1^xiv	122.6 (4)
Li1^vi—Sn3—Li1^x	104.9 (4)	Sn2^iv—Li3—Li1^xiv	122.6 (4)
Li1^vii—Sn3—Li1^x	104.9 (4)	Li2—Li3—Sn3^xv	126.8 (4)
Li1^viii—Sn3—Li1^x	75.1 (4)	Al2^v—Li3—Sn3^xv	53.01 (17)
Li1^ix—Sn3—Li1^x	180.0 (7)	Al2^xii—Li3—Sn3^xv	123.5 (3)
Al2^vi—Sn3—Li3^iii	126.8 (4)	Al2^iii—Li3—Sn3^xv	123.5 (3)
Al2—Sn3—Li3^iii	53.2 (4)	Li1^iii—Li3—Sn3^xv	126.0 (9)
Li1—Sn3—Li3^iii	52.58 (17)	Li1^iv—Li3—Sn3^xv	56.0 (3)
Li1^vi—Sn3—Li3^iii	127.42 (17)	Li1^v—Li3—Sn3^xv	56.0 (3)
Li1^vii—Sn3—Li3^iii	60.5 (5)	Sn2^iii—Li3—Sn3^xv	175.8 (8)
Li1^viii—Sn3—Li3^iii	119.5 (5)	Sn2^v—Li3—Sn3^xv	89.20 (4)
Li1^ix—Sn3—Li3^iii	52.58 (17)	Sn2^iv—Li3—Sn3^xv	89.20 (4)
Li1^x—Sn3—Li3^iii	127.42 (17)	Li1^xiv—Li3—Sn3^xv	53.2 (4)
Al2^vi—Sn3—Li3^xi	53.2 (4)	Al1—Li4—Al1^xii	180.0
Al2—Sn3—Li3^xi	126.8 (4)	Al1—Li4—Al1^iii	69.55 (5)
Li1—Sn3—Li3^xi	127.42 (17)	Al1^xii—Li4—Al1^iii	110.45 (5)
Li1^vi—Sn3—Li3^xi	52.58 (17)	Al1—Li4—Al1^viii	110.45 (5)
Li1^vii—Sn3—Li3^xi	119.5 (5)	Al1^xii—Li4—Al1^viii	69.55 (5)
Li1^viii—Sn3—Li3^xi	60.5 (5)	Al1^iii—Li4—Al1^viii	180.0
Li1^ix—Sn3—Li3^xi	127.42 (17)	Al1—Li4—Al1^v	69.55 (5)
Li1^x—Sn3—Li3^xi	52.58 (17)	Al1^xii—Li4—Al1^v	110.45 (5)
Li3^iii—Sn3—Li3^xi	180.0 (7)	Al1^iii—Li4—Al1^v	110.45 (5)
Al2^vi—Sn3—Li3^xii	126.8 (4)	Al1^viii—Li4—Al1^v	69.55 (5)
Al2—Sn3—Li3^xii	53.2 (4)	Al1—Li4—Al1^ix	110.45 (5)
Li1—Sn3—Li3^xii	119.5 (5)	Al1^xii—Li4—Al1^ix	69.55 (5)
Li1^vi—Sn3—Li3^xii	60.5 (5)	Al1^iii—Li4—Al1^ix	69.55 (5)
Li1^vii—Sn3—Li3^xii	127.42 (17)	Al1^viii—Li4—Al1^ix	110.45 (5)
Li1^viii—Sn3—Li3^xii	52.58 (17)	Al1^v—Li4—Al1^ix	180.00 (11)
Li1^ix—Sn3—Li3^xii	52.58 (17)	Al1—Li4—Li5^xii	71.53 (5)
Li1^x—Sn3—Li3^xii	127.42 (17)	Al1^xii—Li4—Li5^xii	108.47 (5)
Li3^iii—Sn3—Li3^xii	87.8 (5)	Al1^iii—Li4—Li5^xii	108.47 (5)
Li3^xi—Sn3—Li3^xii	92.2 (5)	Al1^viii—Li4—Li5^xii	71.53 (5)
Al2^vi—Sn3—Li3^xiii	53.2 (4)	Al1^v—Li4—Li5^xii	108.47 (5)
Al2—Sn3—Li3^xiii	126.8 (4)	Al1^ix—Li4—Li5^xii	71.53 (5)
Li1—Sn3—Li3^xiii	60.5 (5)	Al1—Li4—Li5	108.47 (5)
Li1^vi—Sn3—Li3^xiii	119.5 (5)	Al1^xii—Li4—Li5	71.53 (5)
Li1^vii—Sn3—Li3^xiii	52.58 (17)	Al1^iii—Li4—Li5	71.53 (5)
Li1^viii—Sn3—Li3^xiii	127.42 (17)	Al1^viii—Li4—Li5	108.47 (5)
Li1^ix—Sn3—Li3^xiii	127.42 (17)	Al1^v—Li4—Li5	71.53 (5)
Li1^x—Sn3—Li3^xiii	52.58 (17)	Al1^ix—Li4—Li5	108.47 (5)
Li3^iii—Sn3—Li3^xiii	92.2 (5)	Li5^xii—Li4—Li5	180.0
Li3^xi—Sn3—Li3^xiii	87.8 (5)	Al1—Li4—Sn1^iii	55.23 (3)
Li3^xii—Sn3—Li3^xiii	180.0 (7)	Al1^xii—Li4—Sn1^iii	124.77 (3)
Sn1—Al1—Li2	180.0	Al1^iii—Li4—Sn1^iii	53.41 (6)
Sn1—Al1—Li4^i	71.53 (5)	Al1^viii—Li4—Sn1^iii	126.59 (6)
Li2—Al1—Li4^i	108.47 (5)	Al1^v—Li4—Sn1^iii	124.77 (3)
Sn1—Al1—Li4	71.53 (5)	Al1^ix—Li4—Sn1^iii	55.23 (3)
Li2—Al1—Li4	108.47 (5)	Li5^xii—Li4—Sn1^iii	55.066 (12)
Li4^i—Al1—Li4	110.45 (5)	Li5—Li4—Sn1^iii	124.934 (12)
Sn1—Al1—Li4^ii	71.53 (5)	Al1—Li4—Sn1^viii	124.77 (3)
Li2—Al1—Li4^ii	108.47 (5)	Al1^xii—Li4—Sn1^viii	55.23 (3)
Li4^i—Al1—Li4^ii	110.45 (5)	Al1^iii—Li4—Sn1^viii	126.59 (6)
Li4—Al1—Li4^ii	110.45 (5)	Al1^viii—Li4—Sn1^viii	53.41 (6)
Sn1—Al1—Sn1^iii	110.02 (5)	Al1^v—Li4—Sn1^viii	55.23 (3)
Li2—Al1—Sn1^iii	69.98 (5)	Al1^ix—Li4—Sn1^viii	124.77 (3)
Li4^i—Al1—Sn1^iii	178.45 (11)	Li5^xii—Li4—Sn1^viii	124.934 (12)
Li4—Al1—Sn1^iii	70.300 (8)	Li5—Li4—Sn1^viii	55.066 (12)
Li4^ii—Al1—Sn1^iii	70.300 (8)	Sn1^iii—Li4—Sn1^viii	180.0
Sn1—Al1—Sn1^iv	110.02 (5)	Al1—Li4—Sn1^xii	126.60 (6)
Li2—Al1—Sn1^iv	69.98 (5)	Al1^xii—Li4—Sn1^xii	53.41 (6)
Li4^i—Al1—Sn1^iv	70.300 (7)	Al1^iii—Li4—Sn1^xii	124.77 (3)
Li4—Al1—Sn1^iv	178.45 (11)	Al1^viii—Li4—Sn1^xii	55.23 (3)
Li4^ii—Al1—Sn1^iv	70.301 (7)	Al1^v—Li4—Sn1^xii	124.77 (3)
Sn1^iii—Al1—Sn1^iv	108.91 (6)	Al1^ix—Li4—Sn1^xii	55.23 (3)
Sn1—Al1—Sn1^v	110.02 (5)	Li5^xii—Li4—Sn1^xii	55.066 (11)
Li2—Al1—Sn1^v	69.98 (5)	Li5—Li4—Sn1^xii	124.934 (12)
Li4^i—Al1—Sn1^v	70.300 (7)	Sn1^iii—Li4—Sn1^xii	90.467 (16)
Li4—Al1—Sn1^v	70.301 (7)	Sn1^viii—Li4—Sn1^xii	89.533 (16)
Li4^ii—Al1—Sn1^v	178.45 (11)	Al1—Li4—Sn1	53.40 (6)
Sn1^iii—Al1—Sn1^v	108.91 (6)	Al1^xii—Li4—Sn1	126.59 (6)
Sn1^iv—Al1—Sn1^v	108.91 (6)	Al1^iii—Li4—Sn1	55.23 (3)
Li5—Al2—Sn3	180.0	Al1^viii—Li4—Sn1	124.77 (3)
Li5—Al2—Li3^xii	106.2 (5)	Al1^v—Li4—Sn1	55.23 (3)
Sn3—Al2—Li3^xii	73.8 (5)	Al1^ix—Li4—Sn1	124.77 (3)
Li5—Al2—Li3^iii	106.2 (5)	Li5^xii—Li4—Sn1	124.933 (12)
Sn3—Al2—Li3^iii	73.8 (5)	Li5—Li4—Sn1	55.067 (12)
Li3^xii—Al2—Li3^iii	112.5 (5)	Sn1^iii—Li4—Sn1	89.533 (16)
Li5—Al2—Li3^v	106.2 (5)	Sn1^viii—Li4—Sn1	90.467 (16)
Sn3—Al2—Li3^v	73.8 (5)	Sn1^xii—Li4—Sn1	180.0
Li3^xii—Al2—Li3^v	112.5 (5)	Al2—Li5—Li2^xii	72.0 (4)
Li3^iii—Al2—Li3^v	112.5 (5)	Al2—Li5—Li2^iii	72.0 (4)
Li5—Al2—Sn2^viii	70.71 (6)	Li2^xii—Li5—Li2^iii	110.9 (4)
Sn3—Al2—Sn2^viii	109.29 (6)	Al2—Li5—Li2^v	72.0 (4)
Li3^xii—Al2—Sn2^viii	68.8 (3)	Li2^xii—Li5—Li2^v	110.9 (4)
Li3^iii—Al2—Sn2^viii	176.9 (5)	Li2^iii—Li5—Li2^v	110.9 (4)
Li3^v—Al2—Sn2^viii	68.8 (3)	Al2—Li5—Li4	180.0
Li5—Al2—Sn2	70.71 (6)	Li2^xii—Li5—Li4	108.0 (4)
Sn3—Al2—Sn2	109.29 (6)	Li2^iii—Li5—Li4	108.0 (4)
Li3^xii—Al2—Sn2	176.9 (5)	Li2^v—Li5—Li4	108.0 (4)
Li3^iii—Al2—Sn2	68.8 (3)	Al2—Li5—Sn1^viii	109.9 (3)
Li3^v—Al2—Sn2	68.8 (3)	Li2^xii—Li5—Sn1^viii	70.00 (15)
Sn2^viii—Al2—Sn2	109.65 (6)	Li2^iii—Li5—Sn1^viii	178.1 (7)
Li5—Al2—Sn2^ix	70.71 (6)	Li2^v—Li5—Sn1^viii	70.00 (15)
Sn3—Al2—Sn2^ix	109.29 (6)	Li4—Li5—Sn1^viii	70.1 (3)
Li3^xii—Al2—Sn2^ix	68.8 (3)	Al2—Li5—Sn1	109.9 (3)
Li3^iii—Al2—Sn2^ix	68.8 (3)	Li2^xii—Li5—Sn1	178.1 (7)
Li3^v—Al2—Sn2^ix	176.9 (5)	Li2^iii—Li5—Sn1	70.00 (15)
Sn2^viii—Al2—Sn2^ix	109.65 (6)	Li2^v—Li5—Sn1	70.00 (15)
Sn2—Al2—Sn2^ix	109.65 (6)	Li4—Li5—Sn1	70.1 (3)
Li5—Al2—Li1^viii	120.9 (3)	Sn1^viii—Li5—Sn1	109.0 (3)
Sn3—Al2—Li1^viii	59.1 (3)	Al2—Li5—Sn1^ix	109.9 (3)
Li3^xii—Al2—Li1^viii	56.3 (2)	Li2^xii—Li5—Sn1^ix	70.00 (15)
Li3^iii—Al2—Li1^viii	132.9 (6)	Li2^iii—Li5—Sn1^ix	70.00 (15)
Li3^v—Al2—Li1^viii	56.3 (2)	Li2^v—Li5—Sn1^ix	178.1 (7)
Sn2^viii—Al2—Li1^viii	50.2 (3)	Li4—Li5—Sn1^ix	70.1 (3)
Sn2—Al2—Li1^viii	125.07 (3)	Sn1^viii—Li5—Sn1^ix	109.0 (3)
Sn2^ix—Al2—Li1^viii	125.07 (3)	Sn1—Li5—Sn1^ix	109.0 (3)
Li5—Al2—Li1^ix	120.9 (3)	Al2—Li5—Sn2	55.5 (2)
Sn3—Al2—Li1^ix	59.1 (3)	Li2^xii—Li5—Sn2	127.6 (6)
Li3^xii—Al2—Li1^ix	56.3 (2)	Li2^iii—Li5—Sn2	55.5 (2)
Li3^iii—Al2—Li1^ix	56.3 (2)	Li2^v—Li5—Sn2	55.5 (2)
Li3^v—Al2—Li1^ix	132.9 (6)	Li4—Li5—Sn2	124.5 (2)
Sn2^viii—Al2—Li1^ix	125.07 (3)	Sn1^viii—Li5—Sn2	125.47 (14)
Sn2—Al2—Li1^ix	125.07 (3)	Sn1—Li5—Sn2	54.35 (7)
Sn2^ix—Al2—Li1^ix	50.2 (3)	Sn1^ix—Li5—Sn2	125.47 (14)
Li1^viii—Al2—Li1^ix	96.0 (4)	Al2—Li5—Sn2^viii	55.5 (2)
Li5—Al2—Li1	120.9 (3)	Li2^xii—Li5—Sn2^viii	55.5 (2)
Sn3—Al2—Li1	59.1 (3)	Li2^iii—Li5—Sn2^viii	127.6 (6)
Li3^xii—Al2—Li1	132.9 (6)	Li2^v—Li5—Sn2^viii	55.5 (2)
Li3^iii—Al2—Li1	56.3 (2)	Li4—Li5—Sn2^viii	124.5 (2)
Li3^v—Al2—Li1	56.3 (2)	Sn1^viii—Li5—Sn2^viii	54.35 (7)
Sn2^viii—Al2—Li1	125.07 (3)	Sn1—Li5—Sn2^viii	125.47 (14)
Sn2—Al2—Li1	50.2 (3)	Sn1^ix—Li5—Sn2^viii	125.46 (14)
Sn2^ix—Al2—Li1	125.07 (3)	Sn2—Li5—Sn2^viii	91.1 (3)
Li1^viii—Al2—Li1	96.0 (4)	Al2—Li5—Sn2^ix	55.5 (2)
Li1^ix—Al2—Li1	96.0 (4)	Li2^xii—Li5—Sn2^ix	55.5 (2)
Sn2—Li1—Li3^iii	72.9 (6)	Li2^iii—Li5—Sn2^ix	55.5 (2)
Sn2—Li1—Li3^iv	72.9 (6)	Li2^v—Li5—Sn2^ix	127.6 (6)
Li3^iii—Li1—Li3^iv	111.7 (5)	Li4—Li5—Sn2^ix	124.5 (2)
Sn2—Li1—Li3^v	72.9 (6)	Sn1^viii—Li5—Sn2^ix	125.47 (14)
Li3^iii—Li1—Li3^v	111.7 (5)	Sn1—Li5—Sn2^ix	125.47 (14)
Li3^iv—Li1—Li3^v	111.7 (5)	Sn1^ix—Li5—Sn2^ix	54.35 (7)
Sn2—Li1—Sn3^i	113.7 (3)	Sn2—Li5—Sn2^ix	91.1 (3)
Li3^iii—Li1—Sn3^i	173.4 (8)	Sn2^viii—Li5—Sn2^ix	91.1 (3)

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