The material structure described by HgTeO3 is Antimony trioxide-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the second Hg site, Hg(2) is bonded in a 2-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(5) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Te site, Te(2) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(5), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Hg(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Hg(1), one Hg(2), one Te(1), and one Te(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Hg(1), two equivalent Hg(2), and one Te(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Hg(2) and two equivalent Te(2) atoms. is represented by the CIF file [CIF]
data_HgTeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.198
_cell_length_b   7.415
_cell_length_c   7.522
_cell_angle_alpha   93.147
_cell_angle_beta   113.761
_cell_angle_gamma   92.405
_symmetry_Int_Tables_number   1
_cell_volume   315.143
_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
  Hg  Hg0  1  0.046  0.720  0.846  1.0
  Hg  Hg1  1  0.954  0.280  0.154  1.0
  Hg  Hg2  1  0.564  0.940  0.769  1.0
  Hg  Hg3  1  0.436  0.060  0.231  1.0
  Te  Te4  1  0.476  0.522  0.243  1.0
  Te  Te5  1  0.524  0.478  0.757  1.0
  Te  Te6  1  0.004  0.845  0.325  1.0
  Te  Te7  1  0.996  0.155  0.675  1.0
  O  O8  1  0.745  0.544  0.012  1.0
  O  O9  1  0.255  0.456  0.988  1.0
  O  O10  1  0.729  0.558  0.644  1.0
  O  O11  1  0.271  0.442  0.356  1.0
  O  O12  1  0.359  0.696  0.719  1.0
  O  O13  1  0.641  0.304  0.281  1.0
  O  O14  1  0.222  0.818  0.196  1.0
  O  O15  1  0.778  0.182  0.804  1.0
  O  O16  1  0.201  0.013  0.863  1.0
  O  O17  1  0.799  0.987  0.137  1.0
  O  O18  1  0.201  0.044  0.482  1.0
  O  O19  1  0.799  0.956  0.518  1.0
[/CIF]
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The material structure described by HgTeO3 is Antimony trioxide-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. In the second Hg site, Hg(2) is bonded in a 2-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(5) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Te site, Te(2) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(5), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Hg(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Hg(1), one Hg(2), one Te(1), and one Te(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Hg(1), two equivalent Hg(2), and one Te(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Hg(2) and two equivalent Te(2) atoms. is represented by the CIF file [CIF]
data_HgTeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.198
_cell_length_b   7.415
_cell_length_c   7.522
_cell_angle_alpha   93.147
_cell_angle_beta   113.761
_cell_angle_gamma   92.405
_symmetry_Int_Tables_number   1
_cell_volume   315.143
_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
  Hg  Hg0  1  0.046  0.720  0.846  1.0
  Hg  Hg1  1  0.954  0.280  0.154  1.0
  Hg  Hg2  1  0.564  0.940  0.769  1.0
  Hg  Hg3  1  0.436  0.060  0.231  1.0
  Te  Te4  1  0.476  0.522  0.243  1.0
  Te  Te5  1  0.524  0.478  0.757  1.0
  Te  Te6  1  0.004  0.845  0.325  1.0
  Te  Te7  1  0.996  0.155  0.675  1.0
  O  O8  1  0.745  0.544  0.012  1.0
  O  O9  1  0.255  0.456  0.988  1.0
  O  O10  1  0.729  0.558  0.644  1.0
  O  O11  1  0.271  0.442  0.356  1.0
  O  O12  1  0.359  0.696  0.719  1.0
  O  O13  1  0.641  0.304  0.281  1.0
  O  O14  1  0.222  0.818  0.196  1.0
  O  O15  1  0.778  0.182  0.804  1.0
  O  O16  1  0.201  0.013  0.863  1.0
  O  O17  1  0.799  0.987  0.137  1.0
  O  O18  1  0.201  0.044  0.482  1.0
  O  O19  1  0.799  0.956  0.518  1.0
[/CIF]
.