The structure described by NiRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Re(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ReO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Re(1) and one Ni(1) atom. is represented by the CIF card [CIF]
data_Re2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.763
_cell_length_b   4.763
_cell_length_c   8.487
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.526
_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
  Re  Re0  1  0.500  0.500  0.347  1.0
  Re  Re1  1  0.500  0.500  0.653  1.0
  Re  Re2  1  0.000  0.000  0.847  1.0
  Re  Re3  1  0.000  0.000  0.153  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.219  0.781  0.000  1.0
  O  O7  1  0.211  0.789  0.324  1.0
  O  O8  1  0.211  0.789  0.676  1.0
  O  O9  1  0.781  0.219  0.000  1.0
  O  O10  1  0.789  0.211  0.324  1.0
  O  O11  1  0.789  0.211  0.676  1.0
  O  O12  1  0.289  0.289  0.176  1.0
  O  O13  1  0.281  0.281  0.500  1.0
  O  O14  1  0.289  0.289  0.824  1.0
  O  O15  1  0.711  0.711  0.176  1.0
  O  O16  1  0.719  0.719  0.500  1.0
  O  O17  1  0.711  0.711  0.824  1.0
[/CIF]
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The structure described by NiRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Re(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ReO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Re(1) and one Ni(1) atom. is represented by the CIF card [CIF]
data_Re2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.763
_cell_length_b   4.763
_cell_length_c   8.487
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.526
_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
  Re  Re0  1  0.500  0.500  0.347  1.0
  Re  Re1  1  0.500  0.500  0.653  1.0
  Re  Re2  1  0.000  0.000  0.847  1.0
  Re  Re3  1  0.000  0.000  0.153  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.219  0.781  0.000  1.0
  O  O7  1  0.211  0.789  0.324  1.0
  O  O8  1  0.211  0.789  0.676  1.0
  O  O9  1  0.781  0.219  0.000  1.0
  O  O10  1  0.789  0.211  0.324  1.0
  O  O11  1  0.789  0.211  0.676  1.0
  O  O12  1  0.289  0.289  0.176  1.0
  O  O13  1  0.281  0.281  0.500  1.0
  O  O14  1  0.289  0.289  0.824  1.0
  O  O15  1  0.711  0.711  0.176  1.0
  O  O16  1  0.719  0.719  0.500  1.0
  O  O17  1  0.711  0.711  0.824  1.0
[/CIF]
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