The crystal structure described by V12Ga2GeS24 crystallizes in the orthorhombic Imm2 space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(3), one S(4), one S(6), one S(8), and one S(9) atom to form distorted VS6 octahedra that share  a cornercorner with one Ge(1)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(5)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and edges with two equivalent V(4)S6 octahedra. In the second V site, V(2) is bonded to one S(2), one S(7), two equivalent S(10), and two equivalent S(5) atoms to form distorted VS6 octahedra that share  a cornercorner with one Ge(1)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra, edges with two equivalent V(2)S6 octahedra, edges with two equivalent V(3)S6 octahedra, and edges with two equivalent V(5)S6 octahedra. In the third V site, V(3) is bonded to one S(10), one S(4), two equivalent S(1), and two equivalent S(7) atoms to form distorted VS6 octahedra that share  a cornercorner with one Ga(1)S4 tetrahedra, corners with two equivalent Ge(1)S4 tetrahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(4)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and edges with two equivalent V(2)S6 octahedra. In the fourth V site, V(4) is bonded to one S(3), one S(9), two equivalent S(1), and two equivalent S(6) atoms to form distorted VS6 octahedra that share corners with three equivalent Ga(1)S4 tetrahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(5)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. In the fifth V site, V(5) is bonded to one S(5), one S(8), two equivalent S(2), and two equivalent S(6) atoms to form distorted VS6 octahedra that share  a cornercorner with one Ge(1)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra,  an edgeedge with one V(4)S6 octahedra,  an edgeedge with one V(5)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and edges with two equivalent V(2)S6 octahedra. Ga(1) is bonded to one S(10), one S(9), and two equivalent S(6) atoms to form GaS4 tetrahedra that share  a cornercorner with one V(3)S6 octahedra, corners with two equivalent V(2)S6 octahedra, corners with two equivalent V(5)S6 octahedra, corners with three equivalent V(4)S6 octahedra, and corners with four equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 65°. Ge(1) is bonded to two equivalent S(7) and two equivalent S(8) atoms to form GeS4 tetrahedra that share corners with two equivalent V(2)S6 octahedra, corners with two equivalent V(5)S6 octahedra, corners with four equivalent V(1)S6 octahedra, and corners with four equivalent V(3)S6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are ten inequivalent S sites. In the first S site, S(2) is bonded in a 3-coordinate geometry to one V(2) and two equivalent V(5) atoms. In the second S site, S(3) is bonded in a 3-coordinate geometry to one V(4) and two equivalent V(1) atoms. In the third S site, S(4) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(1) atoms. In the fourth S site, S(5) is bonded in a 3-coordinate geometry to one V(5) and two equivalent V(2) atoms. In the fifth S site, S(6) is bonded to one V(1), one V(4), one V(5), and one Ga(1) atom to form SV3Ga tetrahedra that share  a cornercorner with one S(10)V3Ga tetrahedra,  a cornercorner with one S(6)V3Ga tetrahedra,  a cornercorner with one S(9)V3Ga tetrahedra,  an edgeedge with one S(6)V3Ga tetrahedra,  an edgeedge with one S(9)V3Ga tetrahedra, and  an edgeedge with one S(8)V3Ge tetrahedra. In the sixth S site, S(7) is bonded to one V(2), two equivalent V(3), and one Ge(1) atom to form SV3Ge tetrahedra that share  a cornercorner with one S(7)V3Ge tetrahedra, corners with two equivalent S(8)V3Ge tetrahedra,  an edgeedge with one S(7)V3Ge tetrahedra, and edges with two equivalent S(10)V3Ga tetrahedra. In the seventh S site, S(8) is bonded to one V(5), two equivalent V(1), and one Ge(1) atom to form SV3Ge tetrahedra that share  a cornercorner with one S(8)V3Ge tetrahedra, corners with two equivalent S(7)V3Ge tetrahedra,  an edgeedge with one S(9)V3Ga tetrahedra, and edges with two equivalent S(6)V3Ga tetrahedra. In the eighth S site, S(9) is bonded to one V(4), two equivalent V(1), and one Ga(1) atom to form SV3Ga tetrahedra that share  a cornercorner with one S(10)V3Ga tetrahedra, corners with two equivalent S(6)V3Ga tetrahedra,  an edgeedge with one S(8)V3Ge tetrahedra, and edges with two equivalent S(6)V3Ga tetrahedra. In the ninth S site, S(10) is bonded to one V(3), two equivalent V(2), and one Ga(1) atom to form SV3Ga tetrahedra that share  a cornercorner with one S(9)V3Ga tetrahedra, corners with two equivalent S(6)V3Ga tetrahedra,  an edgeedge with one S(10)V3Ga tetrahedra, and edges with two equivalent S(7)V3Ge tetrahedra. In the tenth S site, S(1) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V12Ga2GeS24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.893
_cell_length_b   11.893
_cell_length_c   11.893
_cell_angle_alpha   146.430
_cell_angle_beta   131.826
_cell_angle_gamma   59.995
_symmetry_Int_Tables_number   1
_cell_volume   686.743
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  V  V0  1  0.938  0.124  0.396  1.0
  V  V1  1  0.272  0.457  0.396  1.0
  V  V2  1  0.604  0.790  0.394  1.0
  V  V3  1  0.798  0.403  0.395  1.0
  V  V4  1  0.131  0.737  0.394  1.0
  V  V5  1  0.466  0.070  0.396  1.0
  V  V6  1  0.658  0.263  0.394  1.0
  V  V7  1  0.992  0.597  0.395  1.0
  V  V8  1  0.325  0.930  0.396  1.0
  V  V9  1  0.938  0.543  0.815  1.0
  V  V10  1  0.272  0.876  0.815  1.0
  V  V11  1  0.604  0.210  0.815  1.0
  Ga  Ga12  1  0.333  0.333  1.000  1.0
  Ga  Ga13  1  0.667  0.667  1.000  1.0
  Ge  Ge14  1  0.000  0.000  0.000  1.0
  S  S15  1  0.704  0.592  0.630  1.0
  S  S16  1  0.038  0.926  0.630  1.0
  S  S17  1  0.371  0.259  0.630  1.0
  S  S18  1  0.876  0.247  0.629  1.0
  S  S19  1  0.210  0.580  0.629  1.0
  S  S20  1  0.543  0.914  0.629  1.0
  S  S21  1  0.049  0.420  0.629  1.0
  S  S22  1  0.382  0.753  0.629  1.0
  S  S23  1  0.715  0.086  0.629  1.0
  S  S24  1  0.704  0.074  0.112  1.0
  S  S25  1  0.038  0.408  0.112  1.0
  S  S26  1  0.371  0.741  0.112  1.0
  S  S27  1  0.196  0.607  0.137  1.0
  S  S28  1  0.529  0.940  0.137  1.0
  S  S29  1  0.864  0.272  0.136  1.0
  S  S30  1  0.045  0.909  0.136  1.0
  S  S31  1  0.379  0.242  0.137  1.0
  S  S32  1  0.713  0.575  0.137  1.0
  S  S33  1  0.895  0.758  0.137  1.0
  S  S34  1  0.226  0.091  0.136  1.0
  S  S35  1  0.562  0.425  0.137  1.0
  S  S36  1  0.196  0.060  0.589  1.0
  S  S37  1  0.529  0.393  0.589  1.0
  S  S38  1  0.864  0.728  0.592  1.0
[/CIF]
.
The crystal structure described by V12Ga2GeS24 crystallizes in the orthorhombic Imm2 space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(3), one S(4), one S(6), one S(8), and one S(9) atom to form distorted VS6 octahedra that share  a cornercorner with one Ge(1)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(5)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and edges with two equivalent V(4)S6 octahedra. In the second V site, V(2) is bonded to one S(2), one S(7), two equivalent S(10), and two equivalent S(5) atoms to form distorted VS6 octahedra that share  a cornercorner with one Ge(1)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra, edges with two equivalent V(2)S6 octahedra, edges with two equivalent V(3)S6 octahedra, and edges with two equivalent V(5)S6 octahedra. In the third V site, V(3) is bonded to one S(10), one S(4), two equivalent S(1), and two equivalent S(7) atoms to form distorted VS6 octahedra that share  a cornercorner with one Ga(1)S4 tetrahedra, corners with two equivalent Ge(1)S4 tetrahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(4)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and edges with two equivalent V(2)S6 octahedra. In the fourth V site, V(4) is bonded to one S(3), one S(9), two equivalent S(1), and two equivalent S(6) atoms to form distorted VS6 octahedra that share corners with three equivalent Ga(1)S4 tetrahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(5)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. In the fifth V site, V(5) is bonded to one S(5), one S(8), two equivalent S(2), and two equivalent S(6) atoms to form distorted VS6 octahedra that share  a cornercorner with one Ge(1)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra,  an edgeedge with one V(4)S6 octahedra,  an edgeedge with one V(5)S6 octahedra, edges with two equivalent V(1)S6 octahedra, and edges with two equivalent V(2)S6 octahedra. Ga(1) is bonded to one S(10), one S(9), and two equivalent S(6) atoms to form GaS4 tetrahedra that share  a cornercorner with one V(3)S6 octahedra, corners with two equivalent V(2)S6 octahedra, corners with two equivalent V(5)S6 octahedra, corners with three equivalent V(4)S6 octahedra, and corners with four equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles are 65°. Ge(1) is bonded to two equivalent S(7) and two equivalent S(8) atoms to form GeS4 tetrahedra that share corners with two equivalent V(2)S6 octahedra, corners with two equivalent V(5)S6 octahedra, corners with four equivalent V(1)S6 octahedra, and corners with four equivalent V(3)S6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are ten inequivalent S sites. In the first S site, S(2) is bonded in a 3-coordinate geometry to one V(2) and two equivalent V(5) atoms. In the second S site, S(3) is bonded in a 3-coordinate geometry to one V(4) and two equivalent V(1) atoms. In the third S site, S(4) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(1) atoms. In the fourth S site, S(5) is bonded in a 3-coordinate geometry to one V(5) and two equivalent V(2) atoms. In the fifth S site, S(6) is bonded to one V(1), one V(4), one V(5), and one Ga(1) atom to form SV3Ga tetrahedra that share  a cornercorner with one S(10)V3Ga tetrahedra,  a cornercorner with one S(6)V3Ga tetrahedra,  a cornercorner with one S(9)V3Ga tetrahedra,  an edgeedge with one S(6)V3Ga tetrahedra,  an edgeedge with one S(9)V3Ga tetrahedra, and  an edgeedge with one S(8)V3Ge tetrahedra. In the sixth S site, S(7) is bonded to one V(2), two equivalent V(3), and one Ge(1) atom to form SV3Ge tetrahedra that share  a cornercorner with one S(7)V3Ge tetrahedra, corners with two equivalent S(8)V3Ge tetrahedra,  an edgeedge with one S(7)V3Ge tetrahedra, and edges with two equivalent S(10)V3Ga tetrahedra. In the seventh S site, S(8) is bonded to one V(5), two equivalent V(1), and one Ge(1) atom to form SV3Ge tetrahedra that share  a cornercorner with one S(8)V3Ge tetrahedra, corners with two equivalent S(7)V3Ge tetrahedra,  an edgeedge with one S(9)V3Ga tetrahedra, and edges with two equivalent S(6)V3Ga tetrahedra. In the eighth S site, S(9) is bonded to one V(4), two equivalent V(1), and one Ga(1) atom to form SV3Ga tetrahedra that share  a cornercorner with one S(10)V3Ga tetrahedra, corners with two equivalent S(6)V3Ga tetrahedra,  an edgeedge with one S(8)V3Ge tetrahedra, and edges with two equivalent S(6)V3Ga tetrahedra. In the ninth S site, S(10) is bonded to one V(3), two equivalent V(2), and one Ga(1) atom to form SV3Ga tetrahedra that share  a cornercorner with one S(9)V3Ga tetrahedra, corners with two equivalent S(6)V3Ga tetrahedra,  an edgeedge with one S(10)V3Ga tetrahedra, and edges with two equivalent S(7)V3Ge tetrahedra. In the tenth S site, S(1) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V12Ga2GeS24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.893
_cell_length_b   11.893
_cell_length_c   11.893
_cell_angle_alpha   146.430
_cell_angle_beta   131.826
_cell_angle_gamma   59.995
_symmetry_Int_Tables_number   1
_cell_volume   686.743
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  V  V0  1  0.938  0.124  0.396  1.0
  V  V1  1  0.272  0.457  0.396  1.0
  V  V2  1  0.604  0.790  0.394  1.0
  V  V3  1  0.798  0.403  0.395  1.0
  V  V4  1  0.131  0.737  0.394  1.0
  V  V5  1  0.466  0.070  0.396  1.0
  V  V6  1  0.658  0.263  0.394  1.0
  V  V7  1  0.992  0.597  0.395  1.0
  V  V8  1  0.325  0.930  0.396  1.0
  V  V9  1  0.938  0.543  0.815  1.0
  V  V10  1  0.272  0.876  0.815  1.0
  V  V11  1  0.604  0.210  0.815  1.0
  Ga  Ga12  1  0.333  0.333  1.000  1.0
  Ga  Ga13  1  0.667  0.667  1.000  1.0
  Ge  Ge14  1  0.000  0.000  0.000  1.0
  S  S15  1  0.704  0.592  0.630  1.0
  S  S16  1  0.038  0.926  0.630  1.0
  S  S17  1  0.371  0.259  0.630  1.0
  S  S18  1  0.876  0.247  0.629  1.0
  S  S19  1  0.210  0.580  0.629  1.0
  S  S20  1  0.543  0.914  0.629  1.0
  S  S21  1  0.049  0.420  0.629  1.0
  S  S22  1  0.382  0.753  0.629  1.0
  S  S23  1  0.715  0.086  0.629  1.0
  S  S24  1  0.704  0.074  0.112  1.0
  S  S25  1  0.038  0.408  0.112  1.0
  S  S26  1  0.371  0.741  0.112  1.0
  S  S27  1  0.196  0.607  0.137  1.0
  S  S28  1  0.529  0.940  0.137  1.0
  S  S29  1  0.864  0.272  0.136  1.0
  S  S30  1  0.045  0.909  0.136  1.0
  S  S31  1  0.379  0.242  0.137  1.0
  S  S32  1  0.713  0.575  0.137  1.0
  S  S33  1  0.895  0.758  0.137  1.0
  S  S34  1  0.226  0.091  0.136  1.0
  S  S35  1  0.562  0.425  0.137  1.0
  S  S36  1  0.196  0.060  0.589  1.0
  S  S37  1  0.529  0.393  0.589  1.0
  S  S38  1  0.864  0.728  0.592  1.0
[/CIF]
.