The compound described by Re3O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. In the second Re site, Re(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Re(1) and two equivalent Re(2) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Re(1) and one Re(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to two equivalent Re(2) atoms. is represented by the CIF card [CIF]
data_Re3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.596
_cell_length_b   5.596
_cell_length_c   4.751
_cell_angle_alpha   86.847
_cell_angle_beta   86.847
_cell_angle_gamma   59.728
_symmetry_Int_Tables_number   1
_cell_volume   128.247
_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
  Re  Re0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.500  0.000  0.500  1.0
  Re  Re2  1  0.000  0.500  0.500  1.0
  O  O3  1  0.154  0.154  0.262  1.0
  O  O4  1  0.130  0.672  0.229  1.0
  O  O5  1  0.656  0.656  0.293  1.0
  O  O6  1  0.672  0.130  0.229  1.0
  O  O7  1  0.328  0.870  0.771  1.0
  O  O8  1  0.344  0.344  0.707  1.0
  O  O9  1  0.870  0.328  0.771  1.0
  O  O10  1  0.846  0.846  0.738  1.0
[/CIF]
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The compound described by Re3O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. In the second Re site, Re(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Re(1) and two equivalent Re(2) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Re(1) and one Re(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to two equivalent Re(2) atoms. is represented by the CIF card [CIF]
data_Re3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.596
_cell_length_b   5.596
_cell_length_c   4.751
_cell_angle_alpha   86.847
_cell_angle_beta   86.847
_cell_angle_gamma   59.728
_symmetry_Int_Tables_number   1
_cell_volume   128.247
_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
  Re  Re0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.500  0.000  0.500  1.0
  Re  Re2  1  0.000  0.500  0.500  1.0
  O  O3  1  0.154  0.154  0.262  1.0
  O  O4  1  0.130  0.672  0.229  1.0
  O  O5  1  0.656  0.656  0.293  1.0
  O  O6  1  0.672  0.130  0.229  1.0
  O  O7  1  0.328  0.870  0.771  1.0
  O  O8  1  0.344  0.344  0.707  1.0
  O  O9  1  0.870  0.328  0.771  1.0
  O  O10  1  0.846  0.846  0.738  1.0
[/CIF]
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