The compound described by Ni3V crystallizes in the trigonal R-3m space group. V(1) is bonded to six equivalent V(1) and six equivalent Ni(1) atoms to form VV6Ni6 cuboctahedra that share corners with six equivalent V(1)V6Ni6 cuboctahedra, corners with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent V(1)V6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)V3Ni9 cuboctahedra, faces with six equivalent V(1)V6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)V3Ni9 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent V(1), three equivalent Ni(2), and six equivalent Ni(1) atoms to form NiV3Ni9 cuboctahedra that share corners with twelve equivalent Ni(1)V3Ni9 cuboctahedra, edges with six equivalent V(1)V6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)V3Ni9 cuboctahedra, faces with six equivalent V(1)V6Ni6 cuboctahedra, faces with six equivalent Ni(2)Ni12 cuboctahedra, and faces with six equivalent Ni(1)V3Ni9 cuboctahedra. In the second Ni site, Ni(2) is bonded to six equivalent Ni(1) and six equivalent Ni(2) atoms to form NiNi12 cuboctahedra that share corners with six equivalent V(1)V6Ni6 cuboctahedra, corners with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent V(1)V6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)V3Ni9 cuboctahedra, faces with six equivalent Ni(2)Ni12 cuboctahedra, and faces with twelve equivalent Ni(1)V3Ni9 cuboctahedra. is represented by the CIF card [CIF]
data_VNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.331
_cell_length_b   8.331
_cell_length_c   8.331
_cell_angle_alpha   17.350
_cell_angle_beta   17.350
_cell_angle_gamma   17.350
_symmetry_Int_Tables_number   1
_cell_volume   44.871
_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  0.000  1.0
  Ni  Ni1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.750  0.750  0.750  1.0
[/CIF]
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The compound described by Ni3V crystallizes in the trigonal R-3m space group. V(1) is bonded to six equivalent V(1) and six equivalent Ni(1) atoms to form VV6Ni6 cuboctahedra that share corners with six equivalent V(1)V6Ni6 cuboctahedra, corners with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent V(1)V6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)V3Ni9 cuboctahedra, faces with six equivalent V(1)V6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)V3Ni9 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent V(1), three equivalent Ni(2), and six equivalent Ni(1) atoms to form NiV3Ni9 cuboctahedra that share corners with twelve equivalent Ni(1)V3Ni9 cuboctahedra, edges with six equivalent V(1)V6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)V3Ni9 cuboctahedra, faces with six equivalent V(1)V6Ni6 cuboctahedra, faces with six equivalent Ni(2)Ni12 cuboctahedra, and faces with six equivalent Ni(1)V3Ni9 cuboctahedra. In the second Ni site, Ni(2) is bonded to six equivalent Ni(1) and six equivalent Ni(2) atoms to form NiNi12 cuboctahedra that share corners with six equivalent V(1)V6Ni6 cuboctahedra, corners with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent V(1)V6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)V3Ni9 cuboctahedra, faces with six equivalent Ni(2)Ni12 cuboctahedra, and faces with twelve equivalent Ni(1)V3Ni9 cuboctahedra. is represented by the CIF card [CIF]
data_VNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.331
_cell_length_b   8.331
_cell_length_c   8.331
_cell_angle_alpha   17.350
_cell_angle_beta   17.350
_cell_angle_gamma   17.350
_symmetry_Int_Tables_number   1
_cell_volume   44.871
_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  0.000  1.0
  Ni  Ni1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.750  0.750  0.750  1.0
[/CIF]
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