The material structure described by VNi6Ga is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. V(1) is bonded to four equivalent Ni(2) and eight equivalent Ni(3) atoms to form VNi12 cuboctahedra that share corners with four equivalent V(1)Ni12 cuboctahedra, corners with eight equivalent Ga(1)Ni12 cuboctahedra, edges with eight equivalent Ni(1)Ga4Ni8 cuboctahedra, edges with sixteen equivalent Ni(3)V2Ga2Ni8 cuboctahedra, faces with two equivalent Ga(1)Ni12 cuboctahedra, faces with four equivalent V(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)V4Ni8 cuboctahedra, and faces with eight equivalent Ni(3)V2Ga2Ni8 cuboctahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to eight equivalent Ni(3) and four equivalent Ga(1) atoms to form NiGa4Ni8 cuboctahedra that share corners with four equivalent Ni(1)Ga4Ni8 cuboctahedra, corners with eight equivalent Ni(2)V4Ni8 cuboctahedra, edges with eight equivalent V(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(3)V2Ga2Ni8 cuboctahedra, faces with two equivalent Ni(2)V4Ni8 cuboctahedra, faces with four equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)V2Ga2Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent V(1) and eight equivalent Ni(3) atoms to form NiV4Ni8 cuboctahedra that share corners with four equivalent Ni(2)V4Ni8 cuboctahedra, corners with eight equivalent Ni(1)Ga4Ni8 cuboctahedra, edges with eight equivalent Ga(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(3)V2Ga2Ni8 cuboctahedra, faces with two equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with four equivalent V(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)V4Ni8 cuboctahedra, and faces with eight equivalent Ni(3)V2Ga2Ni8 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent V(1), two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(3), and two equivalent Ga(1) atoms to form distorted NiV2Ga2Ni8 cuboctahedra that share corners with twelve equivalent Ni(3)V2Ga2Ni8 cuboctahedra, edges with four equivalent V(1)Ni12 cuboctahedra, edges with four equivalent Ni(1)Ga4Ni8 cuboctahedra, edges with four equivalent Ni(2)V4Ni8 cuboctahedra, edges with four equivalent Ga(1)Ni12 cuboctahedra, edges with eight equivalent Ni(3)V2Ga2Ni8 cuboctahedra, faces with two equivalent V(1)Ni12 cuboctahedra, faces with two equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with two equivalent Ni(2)V4Ni8 cuboctahedra, faces with two equivalent Ga(1)Ni12 cuboctahedra, and faces with ten equivalent Ni(3)V2Ga2Ni8 cuboctahedra. Ga(1) is bonded to four equivalent Ni(1) and eight equivalent Ni(3) atoms to form GaNi12 cuboctahedra that share corners with four equivalent Ga(1)Ni12 cuboctahedra, corners with eight equivalent V(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)V4Ni8 cuboctahedra, edges with sixteen equivalent Ni(3)V2Ga2Ni8 cuboctahedra, faces with two equivalent V(1)Ni12 cuboctahedra, faces with four equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)V2Ga2Ni8 cuboctahedra. is represented by the CIF card [CIF]
data_VGaNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.523
_cell_length_b   3.523
_cell_length_c   7.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.420
_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  0.000  0.000  0.500  1.0
  Ga  Ga1  1  0.000  0.000  0.000  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  Ni  Ni4  1  0.500  0.000  0.257  1.0
  Ni  Ni5  1  0.500  0.000  0.743  1.0
  Ni  Ni6  1  0.000  0.500  0.257  1.0
  Ni  Ni7  1  0.000  0.500  0.743  1.0
[/CIF]
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The material structure described by VNi6Ga is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. V(1) is bonded to four equivalent Ni(2) and eight equivalent Ni(3) atoms to form VNi12 cuboctahedra that share corners with four equivalent V(1)Ni12 cuboctahedra, corners with eight equivalent Ga(1)Ni12 cuboctahedra, edges with eight equivalent Ni(1)Ga4Ni8 cuboctahedra, edges with sixteen equivalent Ni(3)V2Ga2Ni8 cuboctahedra, faces with two equivalent Ga(1)Ni12 cuboctahedra, faces with four equivalent V(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)V4Ni8 cuboctahedra, and faces with eight equivalent Ni(3)V2Ga2Ni8 cuboctahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to eight equivalent Ni(3) and four equivalent Ga(1) atoms to form NiGa4Ni8 cuboctahedra that share corners with four equivalent Ni(1)Ga4Ni8 cuboctahedra, corners with eight equivalent Ni(2)V4Ni8 cuboctahedra, edges with eight equivalent V(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(3)V2Ga2Ni8 cuboctahedra, faces with two equivalent Ni(2)V4Ni8 cuboctahedra, faces with four equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)V2Ga2Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent V(1) and eight equivalent Ni(3) atoms to form NiV4Ni8 cuboctahedra that share corners with four equivalent Ni(2)V4Ni8 cuboctahedra, corners with eight equivalent Ni(1)Ga4Ni8 cuboctahedra, edges with eight equivalent Ga(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(3)V2Ga2Ni8 cuboctahedra, faces with two equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with four equivalent V(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)V4Ni8 cuboctahedra, and faces with eight equivalent Ni(3)V2Ga2Ni8 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent V(1), two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(3), and two equivalent Ga(1) atoms to form distorted NiV2Ga2Ni8 cuboctahedra that share corners with twelve equivalent Ni(3)V2Ga2Ni8 cuboctahedra, edges with four equivalent V(1)Ni12 cuboctahedra, edges with four equivalent Ni(1)Ga4Ni8 cuboctahedra, edges with four equivalent Ni(2)V4Ni8 cuboctahedra, edges with four equivalent Ga(1)Ni12 cuboctahedra, edges with eight equivalent Ni(3)V2Ga2Ni8 cuboctahedra, faces with two equivalent V(1)Ni12 cuboctahedra, faces with two equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with two equivalent Ni(2)V4Ni8 cuboctahedra, faces with two equivalent Ga(1)Ni12 cuboctahedra, and faces with ten equivalent Ni(3)V2Ga2Ni8 cuboctahedra. Ga(1) is bonded to four equivalent Ni(1) and eight equivalent Ni(3) atoms to form GaNi12 cuboctahedra that share corners with four equivalent Ga(1)Ni12 cuboctahedra, corners with eight equivalent V(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)V4Ni8 cuboctahedra, edges with sixteen equivalent Ni(3)V2Ga2Ni8 cuboctahedra, faces with two equivalent V(1)Ni12 cuboctahedra, faces with four equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)V2Ga2Ni8 cuboctahedra. is represented by the CIF card [CIF]
data_VGaNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.523
_cell_length_b   3.523
_cell_length_c   7.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.420
_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  0.000  0.000  0.500  1.0
  Ga  Ga1  1  0.000  0.000  0.000  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  Ni  Ni4  1  0.500  0.000  0.257  1.0
  Ni  Ni5  1  0.500  0.000  0.743  1.0
  Ni  Ni6  1  0.000  0.500  0.257  1.0
  Ni  Ni7  1  0.000  0.500  0.743  1.0
[/CIF]
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