The material described by V9GaGeSi crystallizes in the orthorhombic Pmm2 space group. There are twelve inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one V(10), one V(11), two equivalent Ga(1), and two equivalent Ge(1) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one V(11), one V(12), two equivalent Ga(2), and two equivalent Ge(2) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one V(10), one V(12), two equivalent Si(1), and two equivalent Si(2) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to two equivalent V(4), one Ga(1), one Si(1), and two equivalent Si(2) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to two equivalent V(5), one Ga(1), one Ga(2), and two equivalent Ge(1) atoms. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to two equivalent V(6), one Ga(2), two equivalent Ge(2), and one Si(1) atom. In the seventh V site, V(7) is bonded in a 6-coordinate geometry to two equivalent V(7), two equivalent Ga(1), one Ge(1), and one Si(2) atom. In the eighth V site, V(8) is bonded in a 6-coordinate geometry to two equivalent V(8), two equivalent Ga(2), one Ge(1), and one Ge(2) atom. In the ninth V site, V(9) is bonded in a 6-coordinate geometry to two equivalent V(9), one Ge(2), one Si(2), and two equivalent Si(1) atoms. In the tenth V site, V(10) is bonded in a 6-coordinate geometry to one V(1), one V(3), two equivalent Ga(1), and two equivalent Si(2) atoms. In the eleventh V site, V(11) is bonded in a 6-coordinate geometry to one V(1), one V(2), two equivalent Ga(2), and two equivalent Ge(1) atoms. In the twelfth V site, V(12) is bonded in a 6-coordinate geometry to one V(2), one V(3), two equivalent Ge(2), and two equivalent Si(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent V(1), two equivalent V(10), two equivalent V(4), two equivalent V(5), and four equivalent V(7) atoms to form GaV12 cuboctahedra that share  an edgeedge with one Ga(2)V12 cuboctahedra,  an edgeedge with one Si(1)V12 cuboctahedra, edges with four equivalent Ga(1)V12 cuboctahedra, faces with four equivalent Ge(1)V12 cuboctahedra, and faces with four equivalent Si(2)V12 cuboctahedra. In the second Ga site, Ga(2) is bonded to two equivalent V(11), two equivalent V(2), two equivalent V(5), two equivalent V(6), and four equivalent V(8) atoms to form GaV12 cuboctahedra that share  an edgeedge with one Ga(1)V12 cuboctahedra,  an edgeedge with one Si(1)V12 cuboctahedra, edges with four equivalent Ga(2)V12 cuboctahedra, faces with four equivalent Ge(1)V12 cuboctahedra, and faces with four equivalent Ge(2)V12 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two equivalent V(1), two equivalent V(11), two equivalent V(7), two equivalent V(8), and four equivalent V(5) atoms to form GeV12 cuboctahedra that share  an edgeedge with one Ge(2)V12 cuboctahedra,  an edgeedge with one Si(2)V12 cuboctahedra, edges with four equivalent Ge(1)V12 cuboctahedra, faces with four equivalent Ga(1)V12 cuboctahedra, and faces with four equivalent Ga(2)V12 cuboctahedra. In the second Ge site, Ge(2) is bonded to two equivalent V(12), two equivalent V(2), two equivalent V(8), two equivalent V(9), and four equivalent V(6) atoms to form GeV12 cuboctahedra that share  an edgeedge with one Ge(1)V12 cuboctahedra,  an edgeedge with one Si(2)V12 cuboctahedra, edges with four equivalent Ge(2)V12 cuboctahedra, faces with four equivalent Ga(2)V12 cuboctahedra, and faces with four equivalent Si(1)V12 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent V(12), two equivalent V(3), two equivalent V(4), two equivalent V(6), and four equivalent V(9) atoms to form SiV12 cuboctahedra that share  an edgeedge with one Ga(1)V12 cuboctahedra,  an edgeedge with one Ga(2)V12 cuboctahedra, edges with four equivalent Si(1)V12 cuboctahedra, faces with four equivalent Ge(2)V12 cuboctahedra, and faces with four equivalent Si(2)V12 cuboctahedra. In the second Si site, Si(2) is bonded to two equivalent V(10), two equivalent V(3), two equivalent V(7), two equivalent V(9), and four equivalent V(4) atoms to form SiV12 cuboctahedra that share  an edgeedge with one Ge(1)V12 cuboctahedra,  an edgeedge with one Ge(2)V12 cuboctahedra, edges with four equivalent Si(2)V12 cuboctahedra, faces with four equivalent Ga(1)V12 cuboctahedra, and faces with four equivalent Si(1)V12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V9GaSiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.765
_cell_length_b   4.769
_cell_length_c   14.193
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.504
_cell_formula_units_Z   2
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  0.500  0.000  0.751  1.0
  V  V1  1  0.500  0.000  0.416  1.0
  V  V2  1  0.500  0.000  0.082  1.0
  V  V3  1  0.243  0.500  0.003  1.0
  V  V4  1  0.246  0.500  0.667  1.0
  V  V5  1  0.250  0.500  0.330  1.0
  V  V6  1  0.000  0.752  0.836  1.0
  V  V7  1  0.000  0.750  0.500  1.0
  V  V8  1  0.000  0.745  0.164  1.0
  V  V9  1  0.500  0.000  0.919  1.0
  V  V10  1  0.500  0.000  0.583  1.0
  V  V11  1  0.500  0.000  0.249  1.0
  V  V12  1  0.757  0.500  0.003  1.0
  V  V13  1  0.754  0.500  0.667  1.0
  V  V14  1  0.750  0.500  0.330  1.0
  V  V15  1  0.000  0.248  0.836  1.0
  V  V16  1  0.000  0.250  0.500  1.0
  V  V17  1  0.000  0.255  0.164  1.0
  Ga  Ga18  1  0.500  0.500  0.834  1.0
  Ga  Ga19  1  0.500  0.500  0.499  1.0
  Si  Si20  1  0.500  0.500  0.166  1.0
  Si  Si21  1  0.000  0.000  0.001  1.0
  Ge  Ge22  1  0.000  0.000  0.667  1.0
  Ge  Ge23  1  0.000  0.000  0.332  1.0
[/CIF]
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The material described by V9GaGeSi crystallizes in the orthorhombic Pmm2 space group. There are twelve inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one V(10), one V(11), two equivalent Ga(1), and two equivalent Ge(1) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one V(11), one V(12), two equivalent Ga(2), and two equivalent Ge(2) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one V(10), one V(12), two equivalent Si(1), and two equivalent Si(2) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to two equivalent V(4), one Ga(1), one Si(1), and two equivalent Si(2) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to two equivalent V(5), one Ga(1), one Ga(2), and two equivalent Ge(1) atoms. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to two equivalent V(6), one Ga(2), two equivalent Ge(2), and one Si(1) atom. In the seventh V site, V(7) is bonded in a 6-coordinate geometry to two equivalent V(7), two equivalent Ga(1), one Ge(1), and one Si(2) atom. In the eighth V site, V(8) is bonded in a 6-coordinate geometry to two equivalent V(8), two equivalent Ga(2), one Ge(1), and one Ge(2) atom. In the ninth V site, V(9) is bonded in a 6-coordinate geometry to two equivalent V(9), one Ge(2), one Si(2), and two equivalent Si(1) atoms. In the tenth V site, V(10) is bonded in a 6-coordinate geometry to one V(1), one V(3), two equivalent Ga(1), and two equivalent Si(2) atoms. In the eleventh V site, V(11) is bonded in a 6-coordinate geometry to one V(1), one V(2), two equivalent Ga(2), and two equivalent Ge(1) atoms. In the twelfth V site, V(12) is bonded in a 6-coordinate geometry to one V(2), one V(3), two equivalent Ge(2), and two equivalent Si(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent V(1), two equivalent V(10), two equivalent V(4), two equivalent V(5), and four equivalent V(7) atoms to form GaV12 cuboctahedra that share  an edgeedge with one Ga(2)V12 cuboctahedra,  an edgeedge with one Si(1)V12 cuboctahedra, edges with four equivalent Ga(1)V12 cuboctahedra, faces with four equivalent Ge(1)V12 cuboctahedra, and faces with four equivalent Si(2)V12 cuboctahedra. In the second Ga site, Ga(2) is bonded to two equivalent V(11), two equivalent V(2), two equivalent V(5), two equivalent V(6), and four equivalent V(8) atoms to form GaV12 cuboctahedra that share  an edgeedge with one Ga(1)V12 cuboctahedra,  an edgeedge with one Si(1)V12 cuboctahedra, edges with four equivalent Ga(2)V12 cuboctahedra, faces with four equivalent Ge(1)V12 cuboctahedra, and faces with four equivalent Ge(2)V12 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two equivalent V(1), two equivalent V(11), two equivalent V(7), two equivalent V(8), and four equivalent V(5) atoms to form GeV12 cuboctahedra that share  an edgeedge with one Ge(2)V12 cuboctahedra,  an edgeedge with one Si(2)V12 cuboctahedra, edges with four equivalent Ge(1)V12 cuboctahedra, faces with four equivalent Ga(1)V12 cuboctahedra, and faces with four equivalent Ga(2)V12 cuboctahedra. In the second Ge site, Ge(2) is bonded to two equivalent V(12), two equivalent V(2), two equivalent V(8), two equivalent V(9), and four equivalent V(6) atoms to form GeV12 cuboctahedra that share  an edgeedge with one Ge(1)V12 cuboctahedra,  an edgeedge with one Si(2)V12 cuboctahedra, edges with four equivalent Ge(2)V12 cuboctahedra, faces with four equivalent Ga(2)V12 cuboctahedra, and faces with four equivalent Si(1)V12 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent V(12), two equivalent V(3), two equivalent V(4), two equivalent V(6), and four equivalent V(9) atoms to form SiV12 cuboctahedra that share  an edgeedge with one Ga(1)V12 cuboctahedra,  an edgeedge with one Ga(2)V12 cuboctahedra, edges with four equivalent Si(1)V12 cuboctahedra, faces with four equivalent Ge(2)V12 cuboctahedra, and faces with four equivalent Si(2)V12 cuboctahedra. In the second Si site, Si(2) is bonded to two equivalent V(10), two equivalent V(3), two equivalent V(7), two equivalent V(9), and four equivalent V(4) atoms to form SiV12 cuboctahedra that share  an edgeedge with one Ge(1)V12 cuboctahedra,  an edgeedge with one Ge(2)V12 cuboctahedra, edges with four equivalent Si(2)V12 cuboctahedra, faces with four equivalent Ga(1)V12 cuboctahedra, and faces with four equivalent Si(1)V12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V9GaSiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.765
_cell_length_b   4.769
_cell_length_c   14.193
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.504
_cell_formula_units_Z   2
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  0.500  0.000  0.751  1.0
  V  V1  1  0.500  0.000  0.416  1.0
  V  V2  1  0.500  0.000  0.082  1.0
  V  V3  1  0.243  0.500  0.003  1.0
  V  V4  1  0.246  0.500  0.667  1.0
  V  V5  1  0.250  0.500  0.330  1.0
  V  V6  1  0.000  0.752  0.836  1.0
  V  V7  1  0.000  0.750  0.500  1.0
  V  V8  1  0.000  0.745  0.164  1.0
  V  V9  1  0.500  0.000  0.919  1.0
  V  V10  1  0.500  0.000  0.583  1.0
  V  V11  1  0.500  0.000  0.249  1.0
  V  V12  1  0.757  0.500  0.003  1.0
  V  V13  1  0.754  0.500  0.667  1.0
  V  V14  1  0.750  0.500  0.330  1.0
  V  V15  1  0.000  0.248  0.836  1.0
  V  V16  1  0.000  0.250  0.500  1.0
  V  V17  1  0.000  0.255  0.164  1.0
  Ga  Ga18  1  0.500  0.500  0.834  1.0
  Ga  Ga19  1  0.500  0.500  0.499  1.0
  Si  Si20  1  0.500  0.500  0.166  1.0
  Si  Si21  1  0.000  0.000  0.001  1.0
  Ge  Ge22  1  0.000  0.000  0.667  1.0
  Ge  Ge23  1  0.000  0.000  0.332  1.0
[/CIF]
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