The material described by Ni2SiV3 crystallizes in the cubic Fd-3m space group. V(1) is bonded in a 14-coordinate geometry to eight equivalent V(1), four equivalent Ni(1), and two equivalent Si(1) atoms. Ni(1) is bonded in a 12-coordinate geometry to six equivalent V(1), three equivalent Ni(1), and three equivalent Si(1) atoms. Si(1) is bonded to six equivalent V(1) and six equivalent Ni(1) atoms to form face-sharing SiV6Ni6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3SiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.505
_cell_length_b   7.505
_cell_length_c   7.505
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   298.934
_cell_formula_units_Z   4
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  0.802  0.802  0.198  1.0
  V  V1  1  0.198  0.198  0.802  1.0
  V  V2  1  0.802  0.198  0.802  1.0
  V  V3  1  0.198  0.802  0.198  1.0
  V  V4  1  0.198  0.802  0.802  1.0
  V  V5  1  0.802  0.198  0.198  1.0
  V  V6  1  0.448  0.448  0.052  1.0
  V  V7  1  0.052  0.052  0.448  1.0
  V  V8  1  0.448  0.052  0.448  1.0
  V  V9  1  0.052  0.448  0.052  1.0
  V  V10  1  0.052  0.448  0.448  1.0
  V  V11  1  0.448  0.052  0.052  1.0
  Si  Si12  1  0.125  0.625  0.625  1.0
  Si  Si13  1  0.625  0.125  0.625  1.0
  Si  Si14  1  0.625  0.625  0.125  1.0
  Si  Si15  1  0.625  0.625  0.625  1.0
  Ni  Ni16  1  0.760  0.413  0.413  1.0
  Ni  Ni17  1  0.413  0.760  0.413  1.0
  Ni  Ni18  1  0.413  0.413  0.760  1.0
  Ni  Ni19  1  0.413  0.413  0.413  1.0
  Ni  Ni20  1  0.490  0.837  0.837  1.0
  Ni  Ni21  1  0.837  0.490  0.837  1.0
  Ni  Ni22  1  0.837  0.837  0.490  1.0
  Ni  Ni23  1  0.837  0.837  0.837  1.0
[/CIF]
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The material described by Ni2SiV3 crystallizes in the cubic Fd-3m space group. V(1) is bonded in a 14-coordinate geometry to eight equivalent V(1), four equivalent Ni(1), and two equivalent Si(1) atoms. Ni(1) is bonded in a 12-coordinate geometry to six equivalent V(1), three equivalent Ni(1), and three equivalent Si(1) atoms. Si(1) is bonded to six equivalent V(1) and six equivalent Ni(1) atoms to form face-sharing SiV6Ni6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3SiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.505
_cell_length_b   7.505
_cell_length_c   7.505
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   298.934
_cell_formula_units_Z   4
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  0.802  0.802  0.198  1.0
  V  V1  1  0.198  0.198  0.802  1.0
  V  V2  1  0.802  0.198  0.802  1.0
  V  V3  1  0.198  0.802  0.198  1.0
  V  V4  1  0.198  0.802  0.802  1.0
  V  V5  1  0.802  0.198  0.198  1.0
  V  V6  1  0.448  0.448  0.052  1.0
  V  V7  1  0.052  0.052  0.448  1.0
  V  V8  1  0.448  0.052  0.448  1.0
  V  V9  1  0.052  0.448  0.052  1.0
  V  V10  1  0.052  0.448  0.448  1.0
  V  V11  1  0.448  0.052  0.052  1.0
  Si  Si12  1  0.125  0.625  0.625  1.0
  Si  Si13  1  0.625  0.125  0.625  1.0
  Si  Si14  1  0.625  0.625  0.125  1.0
  Si  Si15  1  0.625  0.625  0.625  1.0
  Ni  Ni16  1  0.760  0.413  0.413  1.0
  Ni  Ni17  1  0.413  0.760  0.413  1.0
  Ni  Ni18  1  0.413  0.413  0.760  1.0
  Ni  Ni19  1  0.413  0.413  0.413  1.0
  Ni  Ni20  1  0.490  0.837  0.837  1.0
  Ni  Ni21  1  0.837  0.490  0.837  1.0
  Ni  Ni22  1  0.837  0.837  0.490  1.0
  Ni  Ni23  1  0.837  0.837  0.837  1.0
[/CIF]
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