The compound described by BiRe2O6 crystallizes in the monoclinic C2/c space group. Re(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to three equivalent Re(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Re(1) and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_Re2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.952
_cell_length_b   5.552
_cell_length_c   8.426
_cell_angle_alpha   92.211
_cell_angle_beta   107.087
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   221.223
_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  0.583  0.111  0.637  1.0
  Re  Re1  1  0.946  0.389  0.363  1.0
  Re  Re2  1  0.417  0.889  0.363  1.0
  Re  Re3  1  0.054  0.611  0.637  1.0
  Bi  Bi4  1  0.726  0.750  1.000  1.0
  Bi  Bi5  1  0.274  0.250  0.000  1.0
  O  O6  1  0.304  0.830  0.569  1.0
  O  O7  1  0.736  0.670  0.431  1.0
  O  O8  1  0.696  0.170  0.431  1.0
  O  O9  1  0.264  0.330  0.569  1.0
  O  O10  1  0.888  0.887  0.723  1.0
  O  O11  1  0.165  0.613  0.277  1.0
  O  O12  1  0.112  0.113  0.277  1.0
  O  O13  1  0.835  0.387  0.723  1.0
  O  O14  1  0.526  0.082  0.859  1.0
  O  O15  1  0.667  0.418  0.141  1.0
  O  O16  1  0.474  0.918  0.141  1.0
  O  O17  1  0.333  0.582  0.859  1.0
[/CIF]
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The compound described by BiRe2O6 crystallizes in the monoclinic C2/c space group. Re(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to three equivalent Re(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Re(1) and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_Re2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.952
_cell_length_b   5.552
_cell_length_c   8.426
_cell_angle_alpha   92.211
_cell_angle_beta   107.087
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   221.223
_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  0.583  0.111  0.637  1.0
  Re  Re1  1  0.946  0.389  0.363  1.0
  Re  Re2  1  0.417  0.889  0.363  1.0
  Re  Re3  1  0.054  0.611  0.637  1.0
  Bi  Bi4  1  0.726  0.750  1.000  1.0
  Bi  Bi5  1  0.274  0.250  0.000  1.0
  O  O6  1  0.304  0.830  0.569  1.0
  O  O7  1  0.736  0.670  0.431  1.0
  O  O8  1  0.696  0.170  0.431  1.0
  O  O9  1  0.264  0.330  0.569  1.0
  O  O10  1  0.888  0.887  0.723  1.0
  O  O11  1  0.165  0.613  0.277  1.0
  O  O12  1  0.112  0.113  0.277  1.0
  O  O13  1  0.835  0.387  0.723  1.0
  O  O14  1  0.526  0.082  0.859  1.0
  O  O15  1  0.667  0.418  0.141  1.0
  O  O16  1  0.474  0.918  0.141  1.0
  O  O17  1  0.333  0.582  0.859  1.0
[/CIF]
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