The material described by NbVCr crystallizes in the orthorhombic Imma space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), six equivalent V(1), and six equivalent Cr(1) atoms. V(1) is bonded to six equivalent Nb(1), two equivalent V(1), and four equivalent Cr(1) atoms to form VNb6V2Cr4 cuboctahedra that share corners with eight equivalent Cr(1)Nb6V4Cr2 cuboctahedra, corners with ten equivalent V(1)Nb6V2Cr4 cuboctahedra, edges with six equivalent V(1)Nb6V2Cr4 cuboctahedra, faces with six equivalent V(1)Nb6V2Cr4 cuboctahedra, and faces with twelve equivalent Cr(1)Nb6V4Cr2 cuboctahedra. Cr(1) is bonded to six equivalent Nb(1), four equivalent V(1), and two equivalent Cr(1) atoms to form CrNb6V4Cr2 cuboctahedra that share corners with eight equivalent V(1)Nb6V2Cr4 cuboctahedra, corners with ten equivalent Cr(1)Nb6V4Cr2 cuboctahedra, edges with six equivalent Cr(1)Nb6V4Cr2 cuboctahedra, faces with six equivalent Cr(1)Nb6V4Cr2 cuboctahedra, and faces with twelve equivalent V(1)Nb6V2Cr4 cuboctahedra. is represented by the CIF card [CIF]
data_NbVCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.972
_cell_length_b   4.971
_cell_length_c   4.972
_cell_angle_alpha   120.622
_cell_angle_beta   119.085
_cell_angle_gamma   90.263
_symmetry_Int_Tables_number   1
_cell_volume   87.067
_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
  Nb  Nb0  1  0.126  0.876  0.250  1.0
  Nb  Nb1  1  0.874  0.124  0.750  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.000  0.500  0.500  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  Cr  Cr5  1  0.500  0.000  0.000  1.0
[/CIF]
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The material described by NbVCr crystallizes in the orthorhombic Imma space group. Nb(1) is bonded in a 16-coordinate geometry to four equivalent Nb(1), six equivalent V(1), and six equivalent Cr(1) atoms. V(1) is bonded to six equivalent Nb(1), two equivalent V(1), and four equivalent Cr(1) atoms to form VNb6V2Cr4 cuboctahedra that share corners with eight equivalent Cr(1)Nb6V4Cr2 cuboctahedra, corners with ten equivalent V(1)Nb6V2Cr4 cuboctahedra, edges with six equivalent V(1)Nb6V2Cr4 cuboctahedra, faces with six equivalent V(1)Nb6V2Cr4 cuboctahedra, and faces with twelve equivalent Cr(1)Nb6V4Cr2 cuboctahedra. Cr(1) is bonded to six equivalent Nb(1), four equivalent V(1), and two equivalent Cr(1) atoms to form CrNb6V4Cr2 cuboctahedra that share corners with eight equivalent V(1)Nb6V2Cr4 cuboctahedra, corners with ten equivalent Cr(1)Nb6V4Cr2 cuboctahedra, edges with six equivalent Cr(1)Nb6V4Cr2 cuboctahedra, faces with six equivalent Cr(1)Nb6V4Cr2 cuboctahedra, and faces with twelve equivalent V(1)Nb6V2Cr4 cuboctahedra. is represented by the CIF card [CIF]
data_NbVCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.972
_cell_length_b   4.971
_cell_length_c   4.972
_cell_angle_alpha   120.622
_cell_angle_beta   119.085
_cell_angle_gamma   90.263
_symmetry_Int_Tables_number   1
_cell_volume   87.067
_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
  Nb  Nb0  1  0.126  0.876  0.250  1.0
  Nb  Nb1  1  0.874  0.124  0.750  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.000  0.500  0.500  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  Cr  Cr5  1  0.500  0.000  0.000  1.0
[/CIF]
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