The crystal structure described by In6WO12 crystallizes in the trigonal R-3 space group. W(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 W(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 card [CIF]
data_In6WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.265
_cell_length_b   6.265
_cell_length_c   6.265
_cell_angle_alpha   99.110
_cell_angle_beta   99.110
_cell_angle_gamma   99.110
_symmetry_Int_Tables_number   1
_cell_volume   235.401
_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  0.860  0.395  0.677  1.0
  In  In1  1  0.677  0.860  0.395  1.0
  In  In2  1  0.395  0.677  0.860  1.0
  In  In3  1  0.140  0.605  0.323  1.0
  In  In4  1  0.323  0.140  0.605  1.0
  In  In5  1  0.605  0.323  0.140  1.0
  W  W6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.594  0.176  0.413  1.0
  O  O8  1  0.413  0.594  0.176  1.0
  O  O9  1  0.176  0.413  0.594  1.0
  O  O10  1  0.406  0.824  0.587  1.0
  O  O11  1  0.587  0.406  0.824  1.0
  O  O12  1  0.824  0.587  0.406  1.0
  O  O13  1  0.042  0.705  0.897  1.0
  O  O14  1  0.295  0.103  0.958  1.0
  O  O15  1  0.103  0.958  0.295  1.0
  O  O16  1  0.958  0.295  0.103  1.0
  O  O17  1  0.705  0.897  0.042  1.0
  O  O18  1  0.897  0.042  0.705  1.0
[/CIF]
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The crystal structure described by In6WO12 crystallizes in the trigonal R-3 space group. W(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 W(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 card [CIF]
data_In6WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.265
_cell_length_b   6.265
_cell_length_c   6.265
_cell_angle_alpha   99.110
_cell_angle_beta   99.110
_cell_angle_gamma   99.110
_symmetry_Int_Tables_number   1
_cell_volume   235.401
_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  0.860  0.395  0.677  1.0
  In  In1  1  0.677  0.860  0.395  1.0
  In  In2  1  0.395  0.677  0.860  1.0
  In  In3  1  0.140  0.605  0.323  1.0
  In  In4  1  0.323  0.140  0.605  1.0
  In  In5  1  0.605  0.323  0.140  1.0
  W  W6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.594  0.176  0.413  1.0
  O  O8  1  0.413  0.594  0.176  1.0
  O  O9  1  0.176  0.413  0.594  1.0
  O  O10  1  0.406  0.824  0.587  1.0
  O  O11  1  0.587  0.406  0.824  1.0
  O  O12  1  0.824  0.587  0.406  1.0
  O  O13  1  0.042  0.705  0.897  1.0
  O  O14  1  0.295  0.103  0.958  1.0
  O  O15  1  0.103  0.958  0.295  1.0
  O  O16  1  0.958  0.295  0.103  1.0
  O  O17  1  0.705  0.897  0.042  1.0
  O  O18  1  0.897  0.042  0.705  1.0
[/CIF]
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