The compound described by In6ReO12 crystallizes in the trigonal R-3 space group. Re(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. In(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent In(1) atoms. In the second O site, O(1) is bonded to four equivalent In(1) atoms to form a mixture of corner and edge-sharing OIn4 tetrahedra. is represented by the CIF file [CIF]
data_In6ReO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.345
_cell_length_b   6.345
_cell_length_c   6.345
_cell_angle_alpha   99.208
_cell_angle_beta   99.208
_cell_angle_gamma   99.208
_symmetry_Int_Tables_number   1
_cell_volume   244.370
_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
  In  In0  1  0.677  0.860  0.397  1.0
  In  In1  1  0.397  0.677  0.860  1.0
  In  In2  1  0.860  0.397  0.677  1.0
  In  In3  1  0.323  0.140  0.603  1.0
  In  In4  1  0.603  0.323  0.140  1.0
  In  In5  1  0.140  0.603  0.323  1.0
  Re  Re6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.414  0.594  0.176  1.0
  O  O8  1  0.176  0.414  0.594  1.0
  O  O9  1  0.594  0.176  0.414  1.0
  O  O10  1  0.586  0.406  0.824  1.0
  O  O11  1  0.824  0.586  0.406  1.0
  O  O12  1  0.406  0.824  0.586  1.0
  O  O13  1  0.897  0.045  0.708  1.0
  O  O14  1  0.955  0.292  0.103  1.0
  O  O15  1  0.292  0.103  0.955  1.0
  O  O16  1  0.103  0.955  0.292  1.0
  O  O17  1  0.045  0.708  0.897  1.0
  O  O18  1  0.708  0.897  0.045  1.0
[/CIF]
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The compound described by In6ReO12 crystallizes in the trigonal R-3 space group. Re(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. In(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent In(1) atoms. In the second O site, O(1) is bonded to four equivalent In(1) atoms to form a mixture of corner and edge-sharing OIn4 tetrahedra. is represented by the CIF file [CIF]
data_In6ReO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.345
_cell_length_b   6.345
_cell_length_c   6.345
_cell_angle_alpha   99.208
_cell_angle_beta   99.208
_cell_angle_gamma   99.208
_symmetry_Int_Tables_number   1
_cell_volume   244.370
_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
  In  In0  1  0.677  0.860  0.397  1.0
  In  In1  1  0.397  0.677  0.860  1.0
  In  In2  1  0.860  0.397  0.677  1.0
  In  In3  1  0.323  0.140  0.603  1.0
  In  In4  1  0.603  0.323  0.140  1.0
  In  In5  1  0.140  0.603  0.323  1.0
  Re  Re6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.414  0.594  0.176  1.0
  O  O8  1  0.176  0.414  0.594  1.0
  O  O9  1  0.594  0.176  0.414  1.0
  O  O10  1  0.586  0.406  0.824  1.0
  O  O11  1  0.824  0.586  0.406  1.0
  O  O12  1  0.406  0.824  0.586  1.0
  O  O13  1  0.897  0.045  0.708  1.0
  O  O14  1  0.955  0.292  0.103  1.0
  O  O15  1  0.292  0.103  0.955  1.0
  O  O16  1  0.103  0.955  0.292  1.0
  O  O17  1  0.045  0.708  0.897  1.0
  O  O18  1  0.708  0.897  0.045  1.0
[/CIF]
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