The material structure described by BiTeO4 crystallizes in the monoclinic C2 space group. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(8) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one O(1), 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 Te(1), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Bi(1), one Te(1), and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and one Te(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(3), and one Te(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Bi(1), one Te(1), and one Te(2) atom. In the eighth O site, O(8) is bonded to one Bi(2), two equivalent Bi(3), and one Te(1) atom to form distorted corner-sharing OBi3Te trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_BiTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.968
_cell_length_b   6.968
_cell_length_c   10.274
_cell_angle_alpha   67.481
_cell_angle_beta   67.481
_cell_angle_gamma   47.226
_symmetry_Int_Tables_number   1
_cell_volume   332.640
_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  0.026  0.974  0.500  1.0
  Bi  Bi1  1  0.951  0.049  0.000  1.0
  Bi  Bi2  1  0.687  0.766  0.901  1.0
  Bi  Bi3  1  0.234  0.313  0.099  1.0
  Te  Te4  1  0.503  0.497  0.750  1.0
  Te  Te5  1  0.503  0.497  0.250  1.0
  Te  Te6  1  0.349  0.186  0.634  1.0
  Te  Te7  1  0.814  0.651  0.366  1.0
  O  O8  1  0.788  0.351  0.593  1.0
  O  O9  1  0.649  0.212  0.407  1.0
  O  O10  1  0.201  0.641  0.906  1.0
  O  O11  1  0.359  0.799  0.094  1.0
  O  O12  1  0.718  0.481  0.834  1.0
  O  O13  1  0.519  0.282  0.166  1.0
  O  O14  1  0.293  0.487  0.668  1.0
  O  O15  1  0.513  0.707  0.332  1.0
  O  O16  1  0.911  0.717  0.159  1.0
  O  O17  1  0.283  0.089  0.841  1.0
  O  O18  1  0.078  0.289  0.346  1.0
  O  O19  1  0.711  0.922  0.654  1.0
  O  O20  1  0.152  0.649  0.360  1.0
  O  O21  1  0.351  0.848  0.640  1.0
  O  O22  1  0.847  0.360  0.126  1.0
  O  O23  1  0.640  0.153  0.874  1.0
[/CIF]
.
The material structure described by BiTeO4 crystallizes in the monoclinic C2 space group. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(8) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one O(1), 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 Te(1), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Bi(1), one Te(1), and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and one Te(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(3), and one Te(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Bi(1), one Te(1), and one Te(2) atom. In the eighth O site, O(8) is bonded to one Bi(2), two equivalent Bi(3), and one Te(1) atom to form distorted corner-sharing OBi3Te trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_BiTeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.968
_cell_length_b   6.968
_cell_length_c   10.274
_cell_angle_alpha   67.481
_cell_angle_beta   67.481
_cell_angle_gamma   47.226
_symmetry_Int_Tables_number   1
_cell_volume   332.640
_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  0.026  0.974  0.500  1.0
  Bi  Bi1  1  0.951  0.049  0.000  1.0
  Bi  Bi2  1  0.687  0.766  0.901  1.0
  Bi  Bi3  1  0.234  0.313  0.099  1.0
  Te  Te4  1  0.503  0.497  0.750  1.0
  Te  Te5  1  0.503  0.497  0.250  1.0
  Te  Te6  1  0.349  0.186  0.634  1.0
  Te  Te7  1  0.814  0.651  0.366  1.0
  O  O8  1  0.788  0.351  0.593  1.0
  O  O9  1  0.649  0.212  0.407  1.0
  O  O10  1  0.201  0.641  0.906  1.0
  O  O11  1  0.359  0.799  0.094  1.0
  O  O12  1  0.718  0.481  0.834  1.0
  O  O13  1  0.519  0.282  0.166  1.0
  O  O14  1  0.293  0.487  0.668  1.0
  O  O15  1  0.513  0.707  0.332  1.0
  O  O16  1  0.911  0.717  0.159  1.0
  O  O17  1  0.283  0.089  0.841  1.0
  O  O18  1  0.078  0.289  0.346  1.0
  O  O19  1  0.711  0.922  0.654  1.0
  O  O20  1  0.152  0.649  0.360  1.0
  O  O21  1  0.351  0.848  0.640  1.0
  O  O22  1  0.847  0.360  0.126  1.0
  O  O23  1  0.640  0.153  0.874  1.0
[/CIF]
.