The structure described by In6TeO12 crystallizes in the trigonal R-3 space group. In(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Te(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent In(1) atoms to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the second O site, O(1) is bonded in a 4-coordinate geometry to three equivalent In(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_In6TeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.249
_cell_length_b   6.249
_cell_length_c   6.249
_cell_angle_alpha   98.721
_cell_angle_beta   98.721
_cell_angle_gamma   98.721
_symmetry_Int_Tables_number   1
_cell_volume   234.574
_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  0.394  0.682  1.0
  In  In1  1  0.140  0.606  0.318  1.0
  In  In2  1  0.606  0.318  0.140  1.0
  In  In3  1  0.394  0.682  0.860  1.0
  In  In4  1  0.682  0.860  0.394  1.0
  In  In5  1  0.318  0.140  0.606  1.0
  Te  Te6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.300  0.086  0.960  1.0
  O  O8  1  0.040  0.700  0.914  1.0
  O  O9  1  0.086  0.960  0.300  1.0
  O  O10  1  0.824  0.581  0.405  1.0
  O  O11  1  0.595  0.176  0.419  1.0
  O  O12  1  0.581  0.405  0.824  1.0
  O  O13  1  0.405  0.824  0.581  1.0
  O  O14  1  0.960  0.300  0.086  1.0
  O  O15  1  0.914  0.040  0.700  1.0
  O  O16  1  0.419  0.595  0.176  1.0
  O  O17  1  0.700  0.914  0.040  1.0
  O  O18  1  0.176  0.419  0.595  1.0
[/CIF]
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The structure described by In6TeO12 crystallizes in the trigonal R-3 space group. In(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Te(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent In(1) atoms to form a mixture of corner and edge-sharing OIn4 tetrahedra. In the second O site, O(1) is bonded in a 4-coordinate geometry to three equivalent In(1) and one Te(1) atom. is represented by the CIF file [CIF]
data_In6TeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.249
_cell_length_b   6.249
_cell_length_c   6.249
_cell_angle_alpha   98.721
_cell_angle_beta   98.721
_cell_angle_gamma   98.721
_symmetry_Int_Tables_number   1
_cell_volume   234.574
_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  0.394  0.682  1.0
  In  In1  1  0.140  0.606  0.318  1.0
  In  In2  1  0.606  0.318  0.140  1.0
  In  In3  1  0.394  0.682  0.860  1.0
  In  In4  1  0.682  0.860  0.394  1.0
  In  In5  1  0.318  0.140  0.606  1.0
  Te  Te6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.300  0.086  0.960  1.0
  O  O8  1  0.040  0.700  0.914  1.0
  O  O9  1  0.086  0.960  0.300  1.0
  O  O10  1  0.824  0.581  0.405  1.0
  O  O11  1  0.595  0.176  0.419  1.0
  O  O12  1  0.581  0.405  0.824  1.0
  O  O13  1  0.405  0.824  0.581  1.0
  O  O14  1  0.960  0.300  0.086  1.0
  O  O15  1  0.914  0.040  0.700  1.0
  O  O16  1  0.419  0.595  0.176  1.0
  O  O17  1  0.700  0.914  0.040  1.0
  O  O18  1  0.176  0.419  0.595  1.0
[/CIF]
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