The compound described by BiReO4 crystallizes in the orthorhombic Cmcm space group. Re(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Bi(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Re(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OReBi3 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Re(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ReBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.771
_cell_length_b   7.771
_cell_length_c   5.530
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   151.283
_symmetry_Int_Tables_number   1
_cell_volume   160.450
_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  0.083  0.917  0.750  1.0
  Re  Re1  1  0.917  0.083  0.250  1.0
  Bi  Bi2  1  0.311  0.689  0.750  1.0
  Bi  Bi3  1  0.689  0.311  0.250  1.0
  O  O4  1  0.187  0.813  0.984  1.0
  O  O5  1  0.813  0.187  0.016  1.0
  O  O6  1  0.813  0.187  0.484  1.0
  O  O7  1  0.187  0.813  0.516  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.000  0.000  0.500  1.0
  O  O10  1  0.591  0.409  0.750  1.0
  O  O11  1  0.409  0.591  0.250  1.0
[/CIF]
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The compound described by BiReO4 crystallizes in the orthorhombic Cmcm space group. Re(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Bi(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Re(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OReBi3 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Re(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ReBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.771
_cell_length_b   7.771
_cell_length_c   5.530
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   151.283
_symmetry_Int_Tables_number   1
_cell_volume   160.450
_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  0.083  0.917  0.750  1.0
  Re  Re1  1  0.917  0.083  0.250  1.0
  Bi  Bi2  1  0.311  0.689  0.750  1.0
  Bi  Bi3  1  0.689  0.311  0.250  1.0
  O  O4  1  0.187  0.813  0.984  1.0
  O  O5  1  0.813  0.187  0.016  1.0
  O  O6  1  0.813  0.187  0.484  1.0
  O  O7  1  0.187  0.813  0.516  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.000  0.000  0.500  1.0
  O  O10  1  0.591  0.409  0.750  1.0
  O  O11  1  0.409  0.591  0.250  1.0
[/CIF]
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