The material described by BiTeO4 crystallizes in the monoclinic Cc space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), one O(7), and one O(8) atom. In the second Te site, Te(2) is bonded in an octahedral geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Bi(1), one Bi(2), one Te(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Bi(2), one Te(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Bi(2), one Te(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(2), and one Te(1) atom. is represented by the CIF file [CIF]
data_BiTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.987
_cell_length_b   6.987
_cell_length_c   10.264
_cell_angle_alpha   67.419
_cell_angle_beta   67.419
_cell_angle_gamma   47.090
_symmetry_Int_Tables_number   1
_cell_volume   333.269
_cell_formula_units_Z   4
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
  Bi  Bi0  1  0.770  0.681  0.157  1.0
  Bi  Bi1  1  0.961  0.038  0.743  1.0
  Bi  Bi2  1  0.038  0.961  0.243  1.0
  Bi  Bi3  1  0.681  0.770  0.657  1.0
  Te  Te4  1  0.351  0.192  0.384  1.0
  Te  Te5  1  0.509  0.493  0.503  1.0
  Te  Te6  1  0.192  0.351  0.884  1.0
  Te  Te7  1  0.493  0.509  0.003  1.0
  O  O8  1  0.147  0.656  0.117  1.0
  O  O9  1  0.283  0.085  0.591  1.0
  O  O10  1  0.353  0.794  0.842  1.0
  O  O11  1  0.725  0.482  0.583  1.0
  O  O12  1  0.365  0.839  0.383  1.0
  O  O13  1  0.085  0.283  0.091  1.0
  O  O14  1  0.485  0.300  0.919  1.0
  O  O15  1  0.794  0.353  0.342  1.0
  O  O16  1  0.210  0.643  0.655  1.0
  O  O17  1  0.482  0.725  0.083  1.0
  O  O18  1  0.918  0.711  0.903  1.0
  O  O19  1  0.656  0.147  0.617  1.0
  O  O20  1  0.300  0.485  0.419  1.0
  O  O21  1  0.643  0.210  0.155  1.0
  O  O22  1  0.711  0.918  0.403  1.0
  O  O23  1  0.839  0.365  0.883  1.0
[/CIF]
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The material described by BiTeO4 crystallizes in the monoclinic Cc space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one O(2), one O(5), one O(6), one O(7), and one O(8) atom. In the second Te site, Te(2) is bonded in an octahedral geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal pyramidal geometry to one Bi(1), one Bi(2), one Te(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Bi(2), one Te(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Bi(2), one Te(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(2), and one Te(1) atom. is represented by the CIF file [CIF]
data_BiTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.987
_cell_length_b   6.987
_cell_length_c   10.264
_cell_angle_alpha   67.419
_cell_angle_beta   67.419
_cell_angle_gamma   47.090
_symmetry_Int_Tables_number   1
_cell_volume   333.269
_cell_formula_units_Z   4
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
  Bi  Bi0  1  0.770  0.681  0.157  1.0
  Bi  Bi1  1  0.961  0.038  0.743  1.0
  Bi  Bi2  1  0.038  0.961  0.243  1.0
  Bi  Bi3  1  0.681  0.770  0.657  1.0
  Te  Te4  1  0.351  0.192  0.384  1.0
  Te  Te5  1  0.509  0.493  0.503  1.0
  Te  Te6  1  0.192  0.351  0.884  1.0
  Te  Te7  1  0.493  0.509  0.003  1.0
  O  O8  1  0.147  0.656  0.117  1.0
  O  O9  1  0.283  0.085  0.591  1.0
  O  O10  1  0.353  0.794  0.842  1.0
  O  O11  1  0.725  0.482  0.583  1.0
  O  O12  1  0.365  0.839  0.383  1.0
  O  O13  1  0.085  0.283  0.091  1.0
  O  O14  1  0.485  0.300  0.919  1.0
  O  O15  1  0.794  0.353  0.342  1.0
  O  O16  1  0.210  0.643  0.655  1.0
  O  O17  1  0.482  0.725  0.083  1.0
  O  O18  1  0.918  0.711  0.903  1.0
  O  O19  1  0.656  0.147  0.617  1.0
  O  O20  1  0.300  0.485  0.419  1.0
  O  O21  1  0.643  0.210  0.155  1.0
  O  O22  1  0.711  0.918  0.403  1.0
  O  O23  1  0.839  0.365  0.883  1.0
[/CIF]
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