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Binary and multicomponent inter­metallic compounds based on lithium and p-elements of Groups III-V of the Periodic Table are useful as modern electrode materials in lithium-ion batteries. However, the inter­actions between the components in the Li-Ge-B ternary system have not been reported. The structure of tetra­lithium digermanium boride, Li4Ge2B, exhibits a new structure type, in the noncentrosymmetric space group R3m, in which all the Li, Ge and B atoms occupy sites with 3m symmetry. The title structure is closely related to the Mo2B5 and Li5Sn2 structure types, which crystallize in the centrosymmetric space group R\overline{3}m. All the atoms in the title structure are coordinated by rhombic dodeca­hedra (coordination number = 14), similar to the atoms in related structures. According to electronic structure calculations using the tight-binding-linear muffin-tin orbital-atomic spheres approximation (TB-LMTO-ASA) method, strong covalent Ge-Ge and Ge-B inter­actions were established.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229616009384/ku3179sup1.cif
Contains datablocks I, New_Global_Publ_Block

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229616009384/ku3179Isup2.hkl
Contains datablock I

CCDC reference: 1484497

Computing details top

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: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL2014 (Sheldrick, 2015b).

Tetralithium digermanium boride top
Crystal data top
Li4Ge2BDx = 2.901 Mg m3
Dm = 2.88 (2) Mg m3
Dm measured by volumetric
Mr = 183.79Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3m:HCell parameters from 287 reflections
a = 4.4603 (3) Åθ = 3.3–25.2°
c = 18.3197 (11) ŵ = 13.95 mm1
V = 315.63 (5) Å3T = 293 K
Z = 3Plate, metallic dark grey
F(000) = 2430.06 × 0.05 × 0.01 mm
Data collection top
Oxford Diffraction Xcalibur3 CCD
diffractometer
269 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.022
ω scansθmax = 29.9°, θmin = 3.3°
Absorption correction: analytical
(CrysAlis RED; Oxford Diffraction, 2008)
h = 55
Tmin = 0.441, Tmax = 0.859k = 66
1160 measured reflectionsl = 2525
287 independent reflections
Refinement top
Refinement on F21 restraint
Least-squares matrix: full w = 1/[σ2(Fo2) + 0.009P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.022(Δ/σ)max < 0.001
wR(F2) = 0.047Δρmax = 0.52 e Å3
S = 1.04Δρmin = 0.53 e Å3
287 reflectionsAbsolute structure: Refined as an inversion twin
16 parametersAbsolute structure parameter: 0.45 (11)
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. Refined as a 2-component inversion twin

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ge10.00000.00000.40695 (9)0.0121 (9)
Ge20.00000.00000.26645 (4)0.0107 (8)
B30.00000.00000.1244 (12)0.008 (3)
Li40.00000.00000.836 (4)0.018 (2)*
Li50.00000.00000.7006 (12)0.018 (2)*
Li60.00000.00000.9967 (13)0.018 (2)*
Li70.00000.00000.541 (3)0.018 (2)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ge10.0112 (9)0.0112 (9)0.0141 (17)0.0056 (5)0.0000.000
Ge20.0121 (9)0.0121 (9)0.0080 (13)0.0060 (5)0.0000.000
B30.011 (3)0.011 (3)0.001 (8)0.0054 (13)0.0000.000
Geometric parameters (Å, º) top
Ge1—Li72.45 (5)Li4—Ge1ix3.11 (4)
Ge1—Ge22.5738 (16)Li4—Ge1viii3.11 (4)
Ge1—Li5i2.676 (6)Li4—Ge1x3.11 (4)
Ge1—Li5ii2.676 (6)Li4—Ge2xii3.13 (4)
Ge1—Li5iii2.676 (6)Li5—Li6i2.664 (9)
Ge1—Li6iv2.935 (12)Li5—Li6ii2.664 (10)
Ge1—Li6v2.935 (12)Li5—Li6iii2.664 (9)
Ge1—Li6vi2.935 (12)Li5—Ge1viii2.676 (6)
Ge1—Li4ii3.11 (4)Li5—Ge1ix2.676 (6)
Ge1—Li4i3.11 (4)Li5—Ge1x2.676 (6)
Ge1—Li4iii3.11 (4)Li5—Li72.93 (6)
Ge2—Li7i2.79 (2)Li5—Ge2ix3.169 (13)
Ge2—Li7ii2.79 (2)Li5—Ge2viii3.169 (13)
Ge2—Li7iii2.79 (2)Li5—Ge2x3.170 (13)
Ge2—Li6v2.826 (10)Li6—B3xiv2.34 (4)
Ge2—Li6iv2.826 (10)Li6—Li5viii2.664 (10)
Ge2—Li6vi2.826 (10)Li6—Li5ix2.664 (10)
Ge2—Li4iv3.13 (4)Li6—Li5x2.664 (9)
Ge2—Li4v3.13 (4)Li6—Ge2xi2.826 (10)
Ge2—Li4vi3.13 (4)Li6—Ge2xii2.826 (10)
Ge2—Li5ii3.169 (13)Li6—Ge2xiii2.826 (10)
Ge2—Li5i3.169 (13)Li6—Ge1xii2.935 (12)
B3—Li6vii2.34 (4)Li6—Ge1xi2.935 (12)
B3—Li4v2.70 (3)Li6—Ge1xiii2.935 (12)
B3—Li4iv2.70 (3)Li6—Li7ix3.42 (4)
B3—Li4vi2.70 (3)Li7—Li4i2.67 (3)
Li4—Li52.48 (7)Li7—Li4ii2.67 (3)
Li4—Li7viii2.67 (3)Li7—Li4iii2.67 (3)
Li4—Li7ix2.67 (3)Li7—Ge2viii2.79 (2)
Li4—Li7x2.67 (3)Li7—Ge2ix2.79 (2)
Li4—B3xi2.70 (3)Li7—Ge2x2.79 (2)
Li4—B3xii2.70 (3)Li7—Li6ii3.42 (4)
Li4—B3xiii2.70 (3)Li7—Li6i3.42 (4)
Li4—Li62.95 (9)Li7—Li6iii3.42 (4)
Li7—Ge1—Ge2180.0Li7x—Li4—Ge2xii56.9 (10)
Li7—Ge1—Li5i105.7 (5)B3xi—Li4—Ge2xii124.4 (9)
Ge2—Ge1—Li5i74.3 (5)B3xii—Li4—Ge2xii52.4 (7)
Li7—Ge1—Li5ii105.7 (5)B3xiii—Li4—Ge2xii124.4 (9)
Ge2—Ge1—Li5ii74.3 (5)Li6—Li4—Ge2xii55.3 (11)
Li5i—Ge1—Li5ii112.9 (4)Ge1ix—Li4—Ge2xii180 (2)
Li7—Ge1—Li5iii105.7 (5)Ge1viii—Li4—Ge2xii88.85 (3)
Ge2—Ge1—Li5iii74.3 (5)Ge1x—Li4—Ge2xii88.85 (3)
Li5i—Ge1—Li5iii112.9 (4)Li4—Li5—Li6i104.9 (8)
Li5ii—Ge1—Li5iii112.9 (4)Li4—Li5—Li6ii104.9 (8)
Li7—Ge1—Li6iv118.7 (4)Li6i—Li5—Li6ii113.7 (6)
Ge2—Ge1—Li6iv61.3 (4)Li4—Li5—Li6iii104.9 (8)
Li5i—Ge1—Li6iv56.46 (19)Li6i—Li5—Li6iii113.7 (6)
Li5ii—Ge1—Li6iv135.6 (5)Li6ii—Li5—Li6iii113.7 (6)
Li5iii—Ge1—Li6iv56.47 (19)Li4—Li5—Ge1viii74.3 (5)
Li7—Ge1—Li6v118.7 (4)Li6i—Li5—Ge1viii179.1 (12)
Ge2—Ge1—Li6v61.3 (4)Li6ii—Li5—Ge1viii66.7 (2)
Li5i—Ge1—Li6v135.6 (5)Li6iii—Li5—Ge1viii66.7 (2)
Li5ii—Ge1—Li6v56.46 (19)Li4—Li5—Ge1ix74.3 (5)
Li5iii—Ge1—Li6v56.47 (19)Li6i—Li5—Ge1ix66.7 (2)
Li6iv—Ge1—Li6v98.9 (5)Li6ii—Li5—Ge1ix179.1 (12)
Li7—Ge1—Li6vi118.7 (4)Li6iii—Li5—Ge1ix66.7 (2)
Ge2—Ge1—Li6vi61.3 (4)Ge1viii—Li5—Ge1ix112.9 (4)
Li5i—Ge1—Li6vi56.47 (19)Li4—Li5—Ge1x74.3 (5)
Li5ii—Ge1—Li6vi56.47 (19)Li6i—Li5—Ge1x66.7 (2)
Li5iii—Ge1—Li6vi135.6 (5)Li6ii—Li5—Ge1x66.7 (2)
Li6iv—Ge1—Li6vi98.9 (5)Li6iii—Li5—Ge1x179.1 (12)
Li6v—Ge1—Li6vi98.9 (5)Ge1viii—Li5—Ge1x112.9 (4)
Li7—Ge1—Li4ii55.8 (12)Ge1ix—Li5—Ge1x112.9 (4)
Ge2—Ge1—Li4ii124.2 (12)Li4—Li5—Li7180.000 (13)
Li5i—Ge1—Li4ii123.4 (3)Li6i—Li5—Li775.1 (8)
Li5ii—Ge1—Li4ii49.9 (11)Li6ii—Li5—Li775.1 (8)
Li5iii—Ge1—Li4ii123.4 (3)Li6iii—Li5—Li775.1 (8)
Li6iv—Ge1—Li4ii174.5 (11)Ge1viii—Li5—Li7105.7 (5)
Li6v—Ge1—Li4ii84.7 (9)Ge1ix—Li5—Li7105.7 (5)
Li6vi—Ge1—Li4ii84.7 (9)Ge1x—Li5—Li7105.7 (5)
Li7—Ge1—Li4i55.8 (12)Li4—Li5—Ge2ix125.7 (3)
Ge2—Ge1—Li4i124.2 (12)Li6i—Li5—Ge2ix57.2 (4)
Li5i—Ge1—Li4i49.9 (11)Li6ii—Li5—Ge2ix129.5 (10)
Li5ii—Ge1—Li4i123.4 (3)Li6iii—Li5—Ge2ix57.2 (4)
Li5iii—Ge1—Li4i123.4 (3)Ge1viii—Li5—Ge2ix123.3 (3)
Li6iv—Ge1—Li4i84.7 (9)Ge1ix—Li5—Ge2ix51.41 (14)
Li6v—Ge1—Li4i174.5 (11)Ge1x—Li5—Ge2ix123.3 (3)
Li6vi—Ge1—Li4i84.7 (9)Li7—Li5—Ge2ix54.3 (3)
Li4ii—Ge1—Li4i91.5 (16)Li4—Li5—Ge2viii125.7 (3)
Li7—Ge1—Li4iii55.8 (12)Li6i—Li5—Ge2viii129.5 (10)
Ge2—Ge1—Li4iii124.2 (12)Li6ii—Li5—Ge2viii57.2 (4)
Li5i—Ge1—Li4iii123.4 (3)Li6iii—Li5—Ge2viii57.2 (4)
Li5ii—Ge1—Li4iii123.4 (3)Ge1viii—Li5—Ge2viii51.41 (14)
Li5iii—Ge1—Li4iii49.9 (11)Ge1ix—Li5—Ge2viii123.3 (3)
Li6iv—Ge1—Li4iii84.7 (9)Ge1x—Li5—Ge2viii123.3 (3)
Li6v—Ge1—Li4iii84.7 (9)Li7—Li5—Ge2viii54.3 (3)
Li6vi—Ge1—Li4iii174.5 (11)Ge2ix—Li5—Ge2viii89.4 (5)
Li4ii—Ge1—Li4iii91.5 (16)Li4—Li5—Ge2x125.7 (3)
Li4i—Ge1—Li4iii91.5 (16)Li6i—Li5—Ge2x57.2 (4)
Ge1—Ge2—Li7i112.8 (10)Li6ii—Li5—Ge2x57.2 (4)
Ge1—Ge2—Li7ii112.8 (10)Li6iii—Li5—Ge2x129.5 (10)
Li7i—Ge2—Li7ii105.9 (11)Ge1viii—Li5—Ge2x123.3 (3)
Ge1—Ge2—Li7iii112.8 (10)Ge1ix—Li5—Ge2x123.3 (3)
Li7i—Ge2—Li7iii105.9 (11)Ge1x—Li5—Ge2x51.41 (14)
Li7ii—Ge2—Li7iii105.9 (11)Li7—Li5—Ge2x54.3 (3)
Ge1—Ge2—Li6v65.7 (4)Ge2ix—Li5—Ge2x89.4 (5)
Li7i—Ge2—Li6v178.5 (10)Ge2viii—Li5—Ge2x89.4 (5)
Li7ii—Ge2—Li6v74.9 (7)B3xiv—Li6—Li5viii75.1 (8)
Li7iii—Ge2—Li6v74.9 (7)B3xiv—Li6—Li5ix75.1 (8)
Ge1—Ge2—Li6iv65.7 (4)Li5viii—Li6—Li5ix113.7 (6)
Li7i—Ge2—Li6iv74.9 (7)B3xiv—Li6—Li5x75.1 (8)
Li7ii—Ge2—Li6iv178.5 (10)Li5viii—Li6—Li5x113.7 (6)
Li7iii—Ge2—Li6iv74.9 (7)Li5ix—Li6—Li5x113.7 (6)
Li6v—Ge2—Li6iv104.2 (5)B3xiv—Li6—Ge2xi114.3 (4)
Ge1—Ge2—Li6vi65.7 (4)Li5viii—Li6—Ge2xi170.5 (11)
Li7i—Ge2—Li6vi74.9 (7)Li5ix—Li6—Ge2xi70.4 (3)
Li7ii—Ge2—Li6vi74.9 (7)Li5x—Li6—Ge2xi70.4 (3)
Li7iii—Ge2—Li6vi178.5 (10)B3xiv—Li6—Ge2xii114.3 (4)
Li6v—Ge2—Li6vi104.2 (5)Li5viii—Li6—Ge2xii70.4 (3)
Li6iv—Ge2—Li6vi104.2 (5)Li5ix—Li6—Ge2xii170.5 (11)
Ge1—Ge2—Li4iv124.7 (11)Li5x—Li6—Ge2xii70.4 (3)
Li7i—Ge2—Li4iv53.1 (5)Ge2xi—Li6—Ge2xii104.2 (5)
Li7ii—Ge2—Li4iv122.5 (13)B3xiv—Li6—Ge2xiii114.3 (4)
Li7iii—Ge2—Li4iv53.1 (5)Li5viii—Li6—Ge2xiii70.4 (3)
Li6v—Ge2—Li4iv127.5 (3)Li5ix—Li6—Ge2xiii70.4 (3)
Li6iv—Ge2—Li4iv59.0 (14)Li5x—Li6—Ge2xiii170.5 (11)
Li6vi—Ge2—Li4iv127.5 (3)Ge2xi—Li6—Ge2xiii104.2 (5)
Ge1—Ge2—Li4v124.7 (11)Ge2xii—Li6—Ge2xiii104.2 (5)
Li7i—Ge2—Li4v122.5 (13)B3xiv—Li6—Ge1xii61.3 (4)
Li7ii—Ge2—Li4v53.1 (4)Li5viii—Li6—Ge1xii56.8 (3)
Li7iii—Ge2—Li4v53.1 (5)Li5ix—Li6—Ge1xii136.5 (11)
Li6v—Ge2—Li4v59.0 (14)Li5x—Li6—Ge1xii56.8 (3)
Li6iv—Ge2—Li4v127.5 (3)Ge2xi—Li6—Ge1xii126.69 (7)
Li6vi—Ge2—Li4v127.5 (3)Ge2xii—Li6—Ge1xii53.02 (4)
Li4iv—Ge2—Li4v90.8 (16)Ge2xiii—Li6—Ge1xii126.69 (7)
Ge1—Ge2—Li4vi124.7 (11)B3xiv—Li6—Ge1xi61.3 (4)
Li7i—Ge2—Li4vi53.1 (4)Li5viii—Li6—Ge1xi136.5 (11)
Li7ii—Ge2—Li4vi53.1 (5)Li5ix—Li6—Ge1xi56.8 (3)
Li7iii—Ge2—Li4vi122.5 (13)Li5x—Li6—Ge1xi56.8 (3)
Li6v—Ge2—Li4vi127.5 (3)Ge2xi—Li6—Ge1xi53.02 (4)
Li6iv—Ge2—Li4vi127.5 (3)Ge2xii—Li6—Ge1xi126.69 (7)
Li6vi—Ge2—Li4vi59.0 (14)Ge2xiii—Li6—Ge1xi126.69 (7)
Li4iv—Ge2—Li4vi90.8 (16)Ge1xii—Li6—Ge1xi98.9 (5)
Li4v—Ge2—Li4vi90.8 (16)B3xiv—Li6—Ge1xiii61.3 (4)
Ge1—Ge2—Li5ii54.3 (3)Li5viii—Li6—Ge1xiii56.8 (3)
Li7i—Ge2—Li5ii126.9 (5)Li5ix—Li6—Ge1xiii56.8 (3)
Li7ii—Ge2—Li5ii58.5 (11)Li5x—Li6—Ge1xiii136.5 (11)
Li7iii—Ge2—Li5ii126.9 (5)Ge2xi—Li6—Ge1xiii126.69 (7)
Li6v—Ge2—Li5ii52.4 (2)Ge2xii—Li6—Ge1xiii126.69 (7)
Li6iv—Ge2—Li5ii120.0 (5)Ge2xiii—Li6—Ge1xiii53.02 (4)
Li6vi—Ge2—Li5ii52.4 (2)Ge1xii—Li6—Ge1xiii98.9 (5)
Li4iv—Ge2—Li5ii179.0 (13)Ge1xi—Li6—Ge1xiii98.9 (5)
Li4v—Ge2—Li5ii89.9 (8)B3xiv—Li6—Li4180.00 (2)
Li4vi—Ge2—Li5ii89.9 (8)Li5viii—Li6—Li4104.9 (8)
Ge1—Ge2—Li5i54.3 (3)Li5ix—Li6—Li4104.9 (8)
Li7i—Ge2—Li5i58.5 (11)Li5x—Li6—Li4104.9 (8)
Li7ii—Ge2—Li5i126.9 (5)Ge2xi—Li6—Li465.7 (4)
Li7iii—Ge2—Li5i126.9 (5)Ge2xii—Li6—Li465.7 (4)
Li6v—Ge2—Li5i120.0 (5)Ge2xiii—Li6—Li465.7 (4)
Li6iv—Ge2—Li5i52.4 (2)Ge1xii—Li6—Li4118.7 (4)
Li6vi—Ge2—Li5i52.4 (2)Ge1xi—Li6—Li4118.7 (4)
Li4iv—Ge2—Li5i89.9 (8)Ge1xiii—Li6—Li4118.7 (4)
Li4v—Ge2—Li5i179.0 (13)B3xiv—Li6—Li7ix131.1 (8)
Li4vi—Ge2—Li5i89.9 (8)Li5viii—Li6—Li7ix122.2 (5)
Li5ii—Ge2—Li5i89.4 (5)Li5ix—Li6—Li7ix56.0 (9)
Li6vii—B3—Li4v107.7 (17)Li5x—Li6—Li7ix122.2 (6)
Li6vii—B3—Li4iv107.7 (17)Ge2xi—Li6—Li7ix52.1 (3)
Li4v—B3—Li4iv111.2 (16)Ge2xii—Li6—Li7ix114.5 (11)
Li6vii—B3—Li4vi107.7 (17)Ge2xiii—Li6—Li7ix52.1 (3)
Li4v—B3—Li4vi111.2 (16)Ge1xii—Li6—Li7ix167.5 (11)
Li4iv—B3—Li4vi111.2 (16)Ge1xi—Li6—Li7ix89.2 (4)
Li5—Li4—Li7viii105 (2)Ge1xiii—Li6—Li7ix89.2 (4)
Li5—Li4—Li7ix105 (2)Li4—Li6—Li7ix48.9 (8)
Li7viii—Li4—Li7ix113.4 (17)Ge1—Li7—Li4i75 (2)
Li5—Li4—Li7x105 (2)Ge1—Li7—Li4ii75 (2)
Li7viii—Li4—Li7x113.4 (18)Li4i—Li7—Li4ii113.4 (17)
Li7ix—Li4—Li7x113.4 (18)Ge1—Li7—Li4iii75 (2)
Li5—Li4—B3xi72.3 (17)Li4i—Li7—Li4iii113.4 (18)
Li7viii—Li4—B3xi178 (4)Li4ii—Li7—Li4iii113.4 (18)
Li7ix—Li4—B3xi67.6 (4)Ge1—Li7—Ge2viii112.8 (10)
Li7x—Li4—B3xi67.6 (4)Li4i—Li7—Ge2viii172 (3)
Li5—Li4—B3xii72.3 (17)Li4ii—Li7—Ge2viii69.9 (9)
Li7viii—Li4—B3xii67.6 (4)Li4iii—Li7—Ge2viii69.9 (9)
Li7ix—Li4—B3xii178 (4)Ge1—Li7—Ge2ix112.8 (10)
Li7x—Li4—B3xii67.6 (4)Li4i—Li7—Ge2ix69.9 (9)
B3xi—Li4—B3xii111.2 (16)Li4ii—Li7—Ge2ix172 (3)
Li5—Li4—B3xiii72.3 (17)Li4iii—Li7—Ge2ix69.9 (9)
Li7viii—Li4—B3xiii67.6 (4)Ge2viii—Li7—Ge2ix105.9 (11)
Li7ix—Li4—B3xiii67.6 (4)Ge1—Li7—Ge2x112.8 (10)
Li7x—Li4—B3xiii178 (4)Li4i—Li7—Ge2x69.9 (9)
B3xi—Li4—B3xiii111.2 (16)Li4ii—Li7—Ge2x69.9 (9)
B3xii—Li4—B3xiii111.2 (16)Li4iii—Li7—Ge2x172 (3)
Li5—Li4—Li6180.0Ge2viii—Li7—Ge2x105.9 (11)
Li7viii—Li4—Li675 (2)Ge2ix—Li7—Ge2x105.9 (11)
Li7ix—Li4—Li675 (2)Ge1—Li7—Li5180.0
Li7x—Li4—Li675 (2)Li4i—Li7—Li5105 (2)
B3xi—Li4—Li6107.7 (17)Li4ii—Li7—Li5105 (2)
B3xii—Li4—Li6107.7 (17)Li4iii—Li7—Li5105 (2)
B3xiii—Li4—Li6107.7 (17)Ge2viii—Li7—Li567.2 (10)
Li5—Li4—Ge1ix55.8 (12)Ge2ix—Li7—Li567.2 (10)
Li7viii—Li4—Ge1ix123.1 (12)Ge2x—Li7—Li567.2 (10)
Li7ix—Li4—Ge1ix49.4 (13)Ge1—Li7—Li6ii131.1 (8)
Li7x—Li4—Ge1ix123.1 (12)Li4i—Li7—Li6ii122.4 (14)
B3xi—Li4—Ge1ix55.6 (8)Li4ii—Li7—Li6ii56.3 (18)
B3xii—Li4—Ge1ix128 (3)Li4iii—Li7—Li6ii122.4 (14)
B3xiii—Li4—Ge1ix55.6 (8)Ge2viii—Li7—Li6ii53.0 (6)
Li6—Li4—Ge1ix124.2 (12)Ge2ix—Li7—Li6ii116.0 (18)
Li5—Li4—Ge1viii55.8 (12)Ge2x—Li7—Li6ii53.0 (6)
Li7viii—Li4—Ge1viii49.4 (13)Li5—Li7—Li6ii48.9 (8)
Li7ix—Li4—Ge1viii123.1 (12)Ge1—Li7—Li6i131.1 (8)
Li7x—Li4—Ge1viii123.1 (12)Li4i—Li7—Li6i56.3 (18)
B3xi—Li4—Ge1viii128 (3)Li4ii—Li7—Li6i122.4 (14)
B3xii—Li4—Ge1viii55.6 (8)Li4iii—Li7—Li6i122.4 (14)
B3xiii—Li4—Ge1viii55.6 (8)Ge2viii—Li7—Li6i116.0 (18)
Li6—Li4—Ge1viii124.2 (12)Ge2ix—Li7—Li6i53.0 (6)
Ge1ix—Li4—Ge1viii91.5 (16)Ge2x—Li7—Li6i53.0 (6)
Li5—Li4—Ge1x55.8 (12)Li5—Li7—Li6i48.9 (8)
Li7viii—Li4—Ge1x123.1 (12)Li6ii—Li7—Li6i81.4 (12)
Li7ix—Li4—Ge1x123.1 (12)Ge1—Li7—Li6iii131.1 (8)
Li7x—Li4—Ge1x49.4 (13)Li4i—Li7—Li6iii122.4 (14)
B3xi—Li4—Ge1x55.6 (8)Li4ii—Li7—Li6iii122.4 (14)
B3xii—Li4—Ge1x55.6 (8)Li4iii—Li7—Li6iii56.3 (18)
B3xiii—Li4—Ge1x128 (3)Ge2viii—Li7—Li6iii53.0 (6)
Li6—Li4—Ge1x124.2 (12)Ge2ix—Li7—Li6iii53.0 (6)
Ge1ix—Li4—Ge1x91.5 (16)Ge2x—Li7—Li6iii116.0 (18)
Ge1viii—Li4—Ge1x91.5 (16)Li5—Li7—Li6iii48.9 (8)
Li5—Li4—Ge2xii124.7 (11)Li6ii—Li7—Li6iii81.4 (12)
Li7viii—Li4—Ge2xii56.9 (10)Li6i—Li7—Li6iii81.4 (12)
Li7ix—Li4—Ge2xii130 (3)
Symmetry codes: (i) x2/3, y1/3, z1/3; (ii) x+1/3, y+2/3, z1/3; (iii) x+1/3, y1/3, z1/3; (iv) x1/3, y2/3, z2/3; (v) x+2/3, y+1/3, z2/3; (vi) x1/3, y+1/3, z2/3; (vii) x, y, z1; (viii) x+2/3, y+1/3, z+1/3; (ix) x1/3, y2/3, z+1/3; (x) x1/3, y+1/3, z+1/3; (xi) x2/3, y1/3, z+2/3; (xii) x+1/3, y+2/3, z+2/3; (xiii) x+1/3, y1/3, z+2/3; (xiv) x, y, z+1.
 

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