The structure described by VCo2Ni is beta Cu3Ti-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to six Co(1,1,1) and six equivalent Ni(1) atoms to form VCo6Ni6 cuboctahedra that share corners with six equivalent V(1)Co6Ni6 cuboctahedra; corners with twelve Co(1,1)V4Co6Ni2 cuboctahedra; edges with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; edges with twelve Co(1,1,1)V4Co6Ni2 cuboctahedra; faces with six Co(1,1,1)V4Co6Ni2 cuboctahedra; faces with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; and faces with eight equivalent V(2)Co9Ni3 cuboctahedra. In the second V site, V(2) is bonded to nine Co(1,1) and three equivalent Ni(1) atoms to form VCo9Ni3 cuboctahedra that share corners with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; corners with nine equivalent V(2)Co9Ni3 cuboctahedra; edges with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; edges with fifteen Co(1,1,1)V4Co6Ni2 cuboctahedra; faces with three equivalent V(2)Co9Ni3 cuboctahedra; faces with three equivalent Ni(1)V4Co4Ni4 cuboctahedra; faces with four equivalent V(1)Co6Ni6 cuboctahedra; and faces with nine Co(1,1)V4Co6Ni2 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one V(1); three equivalent V(2); six Co(1,1); and two equivalent Ni(1) atoms to form distorted CoV4Co6Ni2 cuboctahedra that share corners with two equivalent V(1)Co6Ni6 cuboctahedra; corners with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; corners with nine Co(1,1)V4Co6Ni2 cuboctahedra; edges with two equivalent V(1)Co6Ni6 cuboctahedra; edges with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; edges with five equivalent V(2)Co9Ni3 cuboctahedra; edges with ten Co(1,1)V4Co6Ni2 cuboctahedra;  a faceface with one V(1)Co6Ni6 cuboctahedra; faces with three equivalent V(2)Co9Ni3 cuboctahedra; faces with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; and faces with nine Co(1,1)V4Co6Ni2 cuboctahedra. In the second Co site, Co(1) is bonded to one V(1), three equivalent V(2), six equivalent Co(1), and two equivalent Ni(1) atoms to form distorted CoV4Co6Ni2 cuboctahedra that share corners with two equivalent V(1)Co6Ni6 cuboctahedra; corners with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; corners with nine Co(1,1)V4Co6Ni2 cuboctahedra; edges with two equivalent V(1)Co6Ni6 cuboctahedra; edges with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; edges with five equivalent V(2)Co9Ni3 cuboctahedra; edges with ten Co(1,1)V4Co6Ni2 cuboctahedra;  a faceface with one V(1)Co6Ni6 cuboctahedra; faces with three equivalent V(2)Co9Ni3 cuboctahedra; faces with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; and faces with nine equivalent Co(1)V4Co6Ni2 cuboctahedra. In the third Co site, Co(1) is bonded to one V(1), three equivalent V(2), six equivalent Co(1), and two equivalent Ni(1) atoms to form distorted CoV4Co6Ni2 cuboctahedra that share corners with two equivalent V(1)Co6Ni6 cuboctahedra; corners with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; corners with nine Co(1,1)V4Co6Ni2 cuboctahedra; edges with two equivalent V(1)Co6Ni6 cuboctahedra; edges with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; edges with five equivalent V(2)Co9Ni3 cuboctahedra; edges with ten Co(1,1)V4Co6Ni2 cuboctahedra;  a faceface with one V(1)Co6Ni6 cuboctahedra; faces with three equivalent V(2)Co9Ni3 cuboctahedra; faces with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; and faces with nine Co(1,1)V4Co6Ni2 cuboctahedra. Ni(1) is bonded to two equivalent V(1); two equivalent V(2); four Co(1,1,1); and four equivalent Ni(1) atoms to form NiV4Co4Ni4 cuboctahedra that share corners with four equivalent V(2)Co9Ni3 cuboctahedra; corners with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; corners with eight Co(1,1)V4Co6Ni2 cuboctahedra; edges with two equivalent V(1)Co6Ni6 cuboctahedra; edges with four equivalent V(2)Co9Ni3 cuboctahedra; edges with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; edges with eight Co(1,1,1)V4Co6Ni2 cuboctahedra; faces with two equivalent V(1)Co6Ni6 cuboctahedra; faces with two equivalent V(2)Co9Ni3 cuboctahedra; faces with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; and faces with twelve Co(1,1,1)V4Co6Ni2 cuboctahedra. is represented by the CIF file [CIF]
data_VCo2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.013
_cell_length_c   6.699
_cell_angle_alpha   68.029
_cell_angle_beta   68.029
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   131.474
_cell_formula_units_Z   3
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
  V  V1  1  0.784  0.784  0.649  1.0
  V  V2  1  0.216  0.216  0.351  1.0
  Co  Co3  1  0.719  0.719  0.333  1.0
  Co  Co4  1  0.230  0.719  0.333  1.0
  Co  Co5  1  0.719  0.230  0.333  1.0
  Co  Co6  1  0.281  0.281  0.667  1.0
  Co  Co7  1  0.770  0.281  0.667  1.0
  Co  Co8  1  0.281  0.770  0.667  1.0
  Ni  Ni9  1  0.000  0.500  0.000  1.0
  Ni  Ni10  1  0.500  0.000  0.000  1.0
  Ni  Ni11  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by VCo2Ni is beta Cu3Ti-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to six Co(1,1,1) and six equivalent Ni(1) atoms to form VCo6Ni6 cuboctahedra that share corners with six equivalent V(1)Co6Ni6 cuboctahedra; corners with twelve Co(1,1)V4Co6Ni2 cuboctahedra; edges with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; edges with twelve Co(1,1,1)V4Co6Ni2 cuboctahedra; faces with six Co(1,1,1)V4Co6Ni2 cuboctahedra; faces with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; and faces with eight equivalent V(2)Co9Ni3 cuboctahedra. In the second V site, V(2) is bonded to nine Co(1,1) and three equivalent Ni(1) atoms to form VCo9Ni3 cuboctahedra that share corners with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; corners with nine equivalent V(2)Co9Ni3 cuboctahedra; edges with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; edges with fifteen Co(1,1,1)V4Co6Ni2 cuboctahedra; faces with three equivalent V(2)Co9Ni3 cuboctahedra; faces with three equivalent Ni(1)V4Co4Ni4 cuboctahedra; faces with four equivalent V(1)Co6Ni6 cuboctahedra; and faces with nine Co(1,1)V4Co6Ni2 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one V(1); three equivalent V(2); six Co(1,1); and two equivalent Ni(1) atoms to form distorted CoV4Co6Ni2 cuboctahedra that share corners with two equivalent V(1)Co6Ni6 cuboctahedra; corners with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; corners with nine Co(1,1)V4Co6Ni2 cuboctahedra; edges with two equivalent V(1)Co6Ni6 cuboctahedra; edges with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; edges with five equivalent V(2)Co9Ni3 cuboctahedra; edges with ten Co(1,1)V4Co6Ni2 cuboctahedra;  a faceface with one V(1)Co6Ni6 cuboctahedra; faces with three equivalent V(2)Co9Ni3 cuboctahedra; faces with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; and faces with nine Co(1,1)V4Co6Ni2 cuboctahedra. In the second Co site, Co(1) is bonded to one V(1), three equivalent V(2), six equivalent Co(1), and two equivalent Ni(1) atoms to form distorted CoV4Co6Ni2 cuboctahedra that share corners with two equivalent V(1)Co6Ni6 cuboctahedra; corners with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; corners with nine Co(1,1)V4Co6Ni2 cuboctahedra; edges with two equivalent V(1)Co6Ni6 cuboctahedra; edges with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; edges with five equivalent V(2)Co9Ni3 cuboctahedra; edges with ten Co(1,1)V4Co6Ni2 cuboctahedra;  a faceface with one V(1)Co6Ni6 cuboctahedra; faces with three equivalent V(2)Co9Ni3 cuboctahedra; faces with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; and faces with nine equivalent Co(1)V4Co6Ni2 cuboctahedra. In the third Co site, Co(1) is bonded to one V(1), three equivalent V(2), six equivalent Co(1), and two equivalent Ni(1) atoms to form distorted CoV4Co6Ni2 cuboctahedra that share corners with two equivalent V(1)Co6Ni6 cuboctahedra; corners with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; corners with nine Co(1,1)V4Co6Ni2 cuboctahedra; edges with two equivalent V(1)Co6Ni6 cuboctahedra; edges with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; edges with five equivalent V(2)Co9Ni3 cuboctahedra; edges with ten Co(1,1)V4Co6Ni2 cuboctahedra;  a faceface with one V(1)Co6Ni6 cuboctahedra; faces with three equivalent V(2)Co9Ni3 cuboctahedra; faces with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; and faces with nine Co(1,1)V4Co6Ni2 cuboctahedra. Ni(1) is bonded to two equivalent V(1); two equivalent V(2); four Co(1,1,1); and four equivalent Ni(1) atoms to form NiV4Co4Ni4 cuboctahedra that share corners with four equivalent V(2)Co9Ni3 cuboctahedra; corners with six equivalent Ni(1)V4Co4Ni4 cuboctahedra; corners with eight Co(1,1)V4Co6Ni2 cuboctahedra; edges with two equivalent V(1)Co6Ni6 cuboctahedra; edges with four equivalent V(2)Co9Ni3 cuboctahedra; edges with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; edges with eight Co(1,1,1)V4Co6Ni2 cuboctahedra; faces with two equivalent V(1)Co6Ni6 cuboctahedra; faces with two equivalent V(2)Co9Ni3 cuboctahedra; faces with four equivalent Ni(1)V4Co4Ni4 cuboctahedra; and faces with twelve Co(1,1,1)V4Co6Ni2 cuboctahedra. is represented by the CIF file [CIF]
data_VCo2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.013
_cell_length_c   6.699
_cell_angle_alpha   68.029
_cell_angle_beta   68.029
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   131.474
_cell_formula_units_Z   3
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
  V  V1  1  0.784  0.784  0.649  1.0
  V  V2  1  0.216  0.216  0.351  1.0
  Co  Co3  1  0.719  0.719  0.333  1.0
  Co  Co4  1  0.230  0.719  0.333  1.0
  Co  Co5  1  0.719  0.230  0.333  1.0
  Co  Co6  1  0.281  0.281  0.667  1.0
  Co  Co7  1  0.770  0.281  0.667  1.0
  Co  Co8  1  0.281  0.770  0.667  1.0
  Ni  Ni9  1  0.000  0.500  0.000  1.0
  Ni  Ni10  1  0.500  0.000  0.000  1.0
  Ni  Ni11  1  0.500  0.500  0.000  1.0
[/CIF]
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