data_VNiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiOs2
_chemical_formula_sum   'V1 Ni1 Os2'
_cell_volume   53.1
_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  V3  1  0.0  0.0  0.07  1.0
  Ni  Ni0  1  0.52  0.52  0.15  1.0
  Os  Os1  1  0.0  0.0  0.59  1.0
  Os  Os2  1  0.52  0.52  0.54  1.0

data_VNiOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VNiOs2
_chemical_formula_sum   'V2 Ni2 Os4'
_cell_volume   106.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.07  1.0
  Ni  Ni1  2  0.02  0.5  0.15  1.0
  Os  Os2  2  0.0  0.0  0.59  1.0
  Os  Os3  2  0.02  0.5  0.54  1.0

V Ni Os Os
VOs2Ni crystallizes in the monoclinic Cm space group. V(1) is bonded in a 6-coordinate geometry to two equivalent Os(1) and four equivalent Ni(1) atoms. There is one shorter (2.76 Å) and one longer (2.98 Å) V(1)-Os(1) bond length. There are a spread of V(1)-Ni(1) bond distances ranging from 2.11-2.29 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to two equivalent V(1) and four equivalent Os(2) atoms to form distorted OsV2Os4 octahedra that share corners with six equivalent Os(1)V2Os4 octahedra, corners with four equivalent Ni(1)V4Os square pyramids, edges with four equivalent Os(1)V2Os4 octahedra, and edges with four equivalent Ni(1)V4Os square pyramids. The corner-sharing octahedral tilt angles range from 0-16°. There are a spread of Os(1)-Os(2) bond distances ranging from 2.08-2.26 Å. In the second Os site, Os(2) is bonded to four equivalent Os(1) and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OsNiOs4 square pyramids. The Os(2)-Ni(1) bond length is 2.24 Å. Ni(1) is bonded to four equivalent V(1) and one Os(2) atom to form distorted NiV4Os square pyramids that share corners with four equivalent Os(1)V2Os4 octahedra, corners with four equivalent Ni(1)V4Os square pyramids, edges with four equivalent Os(1)V2Os4 octahedra, and edges with four equivalent Ni(1)V4Os square pyramids. The corner-sharing octahedral tilt angles range from 78-79°.