The compound described by CoReO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Cmmm space group. Re(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ReO6 octahedra that share corners with eight equivalent Co(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Re(1) and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Re(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_CoReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.598
_cell_length_b   4.598
_cell_length_c   2.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.701
_symmetry_Int_Tables_number   1
_cell_volume   60.569
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.710  0.290  0.000  1.0
  O  O3  1  0.202  0.202  0.500  1.0
  O  O4  1  0.290  0.710  0.000  1.0
  O  O5  1  0.798  0.798  0.500  1.0
[/CIF]
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The compound described by CoReO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Cmmm space group. Re(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ReO6 octahedra that share corners with eight equivalent Co(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Re(1) and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Re(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_CoReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.598
_cell_length_b   4.598
_cell_length_c   2.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.701
_symmetry_Int_Tables_number   1
_cell_volume   60.569
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.710  0.290  0.000  1.0
  O  O3  1  0.202  0.202  0.500  1.0
  O  O4  1  0.290  0.710  0.000  1.0
  O  O5  1  0.798  0.798  0.500  1.0
[/CIF]
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