The material structure described by Hg3Te2SeO10 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to one O(10), one O(8), and one O(9) atom. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to one O(4), one O(5), and two equivalent O(2) atoms. In the third Hg site, Hg(3) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(9), and two equivalent O(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(10), one O(2), and one O(4) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(9) atom. Se(1) is bonded in a tetrahedral geometry to one O(3), one O(6), one O(7), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg(3) and one Te(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Hg(2) and one Te(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Hg(2), one Hg(3), and one Te(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Hg(2), one Hg(3), and one Te(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Hg(3) and one Se(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Se(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Hg(1) and one Se(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Hg(1), one Hg(3), and one Te(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Hg(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_Hg3Te2SeO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   8.659
_cell_length_c   11.368
_cell_angle_alpha   70.770
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   518.906
_cell_formula_units_Z   2
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  0.580  0.683  0.702  1.0
  Hg  Hg1  1  0.080  0.317  0.298  1.0
  Hg  Hg2  1  0.595  0.990  0.884  1.0
  Hg  Hg3  1  0.095  0.011  0.116  1.0
  Hg  Hg4  1  0.581  0.992  0.372  1.0
  Hg  Hg5  1  0.081  0.008  0.628  1.0
  Te  Te6  1  0.103  0.707  0.943  1.0
  Te  Te7  1  0.603  0.293  0.057  1.0
  Te  Te8  1  0.567  0.272  0.552  1.0
  Te  Te9  1  0.067  0.728  0.448  1.0
  Se  Se10  1  0.581  0.644  0.217  1.0
  Se  Se11  1  0.081  0.356  0.783  1.0
  O  O12  1  0.779  0.147  0.485  1.0
  O  O13  1  0.279  0.853  0.515  1.0
  O  O14  1  0.236  0.883  0.988  1.0
  O  O15  1  0.736  0.117  0.012  1.0
  O  O16  1  0.756  0.750  0.099  1.0
  O  O17  1  0.256  0.250  0.901  1.0
  O  O18  1  0.905  0.843  0.808  1.0
  O  O19  1  0.405  0.157  0.192  1.0
  O  O20  1  0.453  0.088  0.686  1.0
  O  O21  1  0.953  0.912  0.314  1.0
  O  O22  1  0.417  0.769  0.274  1.0
  O  O23  1  0.917  0.231  0.726  1.0
  O  O24  1  0.756  0.526  0.335  1.0
  O  O25  1  0.256  0.474  0.665  1.0
  O  O26  1  0.393  0.525  0.169  1.0
  O  O27  1  0.893  0.475  0.831  1.0
  O  O28  1  0.290  0.245  0.462  1.0
  O  O29  1  0.790  0.755  0.538  1.0
  O  O30  1  0.392  0.700  0.857  1.0
  O  O31  1  0.892  0.300  0.143  1.0
[/CIF]
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The material structure described by Hg3Te2SeO10 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to one O(10), one O(8), and one O(9) atom. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to one O(4), one O(5), and two equivalent O(2) atoms. In the third Hg site, Hg(3) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(9), and two equivalent O(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(10), one O(2), and one O(4) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(9) atom. Se(1) is bonded in a tetrahedral geometry to one O(3), one O(6), one O(7), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg(3) and one Te(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Hg(2) and one Te(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Hg(2), one Hg(3), and one Te(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Hg(2), one Hg(3), and one Te(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Hg(3) and one Se(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Se(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Hg(1) and one Se(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Hg(1), one Hg(3), and one Te(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Hg(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_Hg3Te2SeO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   8.659
_cell_length_c   11.368
_cell_angle_alpha   70.770
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   518.906
_cell_formula_units_Z   2
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  0.580  0.683  0.702  1.0
  Hg  Hg1  1  0.080  0.317  0.298  1.0
  Hg  Hg2  1  0.595  0.990  0.884  1.0
  Hg  Hg3  1  0.095  0.011  0.116  1.0
  Hg  Hg4  1  0.581  0.992  0.372  1.0
  Hg  Hg5  1  0.081  0.008  0.628  1.0
  Te  Te6  1  0.103  0.707  0.943  1.0
  Te  Te7  1  0.603  0.293  0.057  1.0
  Te  Te8  1  0.567  0.272  0.552  1.0
  Te  Te9  1  0.067  0.728  0.448  1.0
  Se  Se10  1  0.581  0.644  0.217  1.0
  Se  Se11  1  0.081  0.356  0.783  1.0
  O  O12  1  0.779  0.147  0.485  1.0
  O  O13  1  0.279  0.853  0.515  1.0
  O  O14  1  0.236  0.883  0.988  1.0
  O  O15  1  0.736  0.117  0.012  1.0
  O  O16  1  0.756  0.750  0.099  1.0
  O  O17  1  0.256  0.250  0.901  1.0
  O  O18  1  0.905  0.843  0.808  1.0
  O  O19  1  0.405  0.157  0.192  1.0
  O  O20  1  0.453  0.088  0.686  1.0
  O  O21  1  0.953  0.912  0.314  1.0
  O  O22  1  0.417  0.769  0.274  1.0
  O  O23  1  0.917  0.231  0.726  1.0
  O  O24  1  0.756  0.526  0.335  1.0
  O  O25  1  0.256  0.474  0.665  1.0
  O  O26  1  0.393  0.525  0.169  1.0
  O  O27  1  0.893  0.475  0.831  1.0
  O  O28  1  0.290  0.245  0.462  1.0
  O  O29  1  0.790  0.755  0.538  1.0
  O  O30  1  0.392  0.700  0.857  1.0
  O  O31  1  0.892  0.300  0.143  1.0
[/CIF]
.