The crystal structure described by BiTeO4 crystallizes in the triclinic P1 space group. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(16), one O(6), one O(7), and one O(8) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(15), one O(16), one O(4), and one O(9) atom. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(2), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded in a distorted square pyramidal geometry to one O(10), one O(13), one O(14), one O(4), and one O(6) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(16), one O(2), and one O(9) atom. In the second Te site, Te(2) is bonded in a see-saw-like geometry to one O(12), one O(13), one O(5), and one O(7) atom. In the third Te site, Te(3) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom. In the fourth Te site, Te(4) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(3), one O(5), and one O(8) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and one O(14) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Bi(3) and one Te(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Te(3) and one Te(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Bi(2), one Bi(4), and one Te(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Te(2) and one Te(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(4), and one Te(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Te(2), and one Te(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(3), and one Te(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Bi(2), one Te(1), and one Te(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Bi(4), one Te(1), and one Te(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Bi(2), one Te(1), and one Te(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Bi(1), one Bi(3), one Te(1), and one Te(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Bi(4) and one Te(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(4), and one O(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Bi(2), one Te(4), and one O(16) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Bi(1), one Bi(2), one Te(1), and one O(15) atom. is represented by the CIF file [CIF]
data_BiTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.464
_cell_length_b   7.688
_cell_length_c   8.289
_cell_angle_alpha   75.061
_cell_angle_beta   67.915
_cell_angle_gamma   61.443
_symmetry_Int_Tables_number   1
_cell_volume   385.368
_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  0.279  0.869  0.748  1.0
  Bi  Bi1  1  0.494  0.967  0.095  1.0
  Bi  Bi2  1  0.728  0.348  0.775  1.0
  Bi  Bi3  1  0.774  0.980  0.484  1.0
  Te  Te4  1  0.924  0.330  0.094  1.0
  Te  Te5  1  0.215  0.454  0.671  1.0
  Te  Te6  1  0.687  0.629  0.398  1.0
  Te  Te7  1  0.268  0.527  0.181  1.0
  O  O8  1  0.814  0.024  0.843  1.0
  O  O9  1  0.705  0.294  0.052  1.0
  O  O10  1  0.973  0.673  0.192  1.0
  O  O11  1  0.553  0.923  0.347  1.0
  O  O12  1  0.119  0.529  0.475  1.0
  O  O13  1  0.624  0.779  0.670  1.0
  O  O14  1  0.391  0.653  0.545  1.0
  O  O15  1  0.361  0.584  0.916  1.0
  O  O16  1  0.641  0.620  0.184  1.0
  O  O17  1  0.839  0.268  0.339  1.0
  O  O18  1  0.271  0.278  0.158  1.0
  O  O19  1  0.065  0.271  0.760  1.0
  O  O20  1  0.492  0.230  0.634  1.0
  O  O21  1  0.946  0.929  0.679  1.0
  O  O22  1  0.202  0.900  0.206  1.0
  O  O23  1  0.136  0.023  0.051  1.0
[/CIF]
.
The crystal structure described by BiTeO4 crystallizes in the triclinic P1 space group. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(16), one O(6), one O(7), and one O(8) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(15), one O(16), one O(4), and one O(9) atom. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(2), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded in a distorted square pyramidal geometry to one O(10), one O(13), one O(14), one O(4), and one O(6) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(16), one O(2), and one O(9) atom. In the second Te site, Te(2) is bonded in a see-saw-like geometry to one O(12), one O(13), one O(5), and one O(7) atom. In the third Te site, Te(3) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom. In the fourth Te site, Te(4) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(3), one O(5), and one O(8) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and one O(14) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Bi(3) and one Te(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Te(3) and one Te(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Bi(2), one Bi(4), and one Te(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Te(2) and one Te(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(4), and one Te(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Te(2), and one Te(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(3), and one Te(4) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Bi(2), one Te(1), and one Te(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Bi(4), one Te(1), and one Te(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Bi(2), one Te(1), and one Te(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Bi(1), one Bi(3), one Te(1), and one Te(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Bi(4) and one Te(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(4), and one O(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Bi(2), one Te(4), and one O(16) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Bi(1), one Bi(2), one Te(1), and one O(15) atom. is represented by the CIF file [CIF]
data_BiTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.464
_cell_length_b   7.688
_cell_length_c   8.289
_cell_angle_alpha   75.061
_cell_angle_beta   67.915
_cell_angle_gamma   61.443
_symmetry_Int_Tables_number   1
_cell_volume   385.368
_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  0.279  0.869  0.748  1.0
  Bi  Bi1  1  0.494  0.967  0.095  1.0
  Bi  Bi2  1  0.728  0.348  0.775  1.0
  Bi  Bi3  1  0.774  0.980  0.484  1.0
  Te  Te4  1  0.924  0.330  0.094  1.0
  Te  Te5  1  0.215  0.454  0.671  1.0
  Te  Te6  1  0.687  0.629  0.398  1.0
  Te  Te7  1  0.268  0.527  0.181  1.0
  O  O8  1  0.814  0.024  0.843  1.0
  O  O9  1  0.705  0.294  0.052  1.0
  O  O10  1  0.973  0.673  0.192  1.0
  O  O11  1  0.553  0.923  0.347  1.0
  O  O12  1  0.119  0.529  0.475  1.0
  O  O13  1  0.624  0.779  0.670  1.0
  O  O14  1  0.391  0.653  0.545  1.0
  O  O15  1  0.361  0.584  0.916  1.0
  O  O16  1  0.641  0.620  0.184  1.0
  O  O17  1  0.839  0.268  0.339  1.0
  O  O18  1  0.271  0.278  0.158  1.0
  O  O19  1  0.065  0.271  0.760  1.0
  O  O20  1  0.492  0.230  0.634  1.0
  O  O21  1  0.946  0.929  0.679  1.0
  O  O22  1  0.202  0.900  0.206  1.0
  O  O23  1  0.136  0.023  0.051  1.0
[/CIF]
.