The crystal structure described by HgP2Se crystallizes in the cubic F-43m space group. Hg(1) is bonded in a body-centered cubic geometry to four equivalent P(2) and four equivalent Se(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent Se(1) atoms to form corner-sharing PSe4 tetrahedra. In the second P site, P(2) is bonded to four equivalent Hg(1) atoms to form corner-sharing PHg4 tetrahedra. Se(1) is bonded in a body-centered cubic geometry to four equivalent Hg(1) and four equivalent P(1) atoms. is represented by the CIF card [CIF]
data_HgP2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.760
_cell_length_b   4.760
_cell_length_c   4.760
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   76.269
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  P  P1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.250  0.250  0.250  1.0
  Se  Se3  1  0.750  0.750  0.750  1.0
[/CIF]
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The crystal structure described by HgP2Se crystallizes in the cubic F-43m space group. Hg(1) is bonded in a body-centered cubic geometry to four equivalent P(2) and four equivalent Se(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent Se(1) atoms to form corner-sharing PSe4 tetrahedra. In the second P site, P(2) is bonded to four equivalent Hg(1) atoms to form corner-sharing PHg4 tetrahedra. Se(1) is bonded in a body-centered cubic geometry to four equivalent Hg(1) and four equivalent P(1) atoms. is represented by the CIF card [CIF]
data_HgP2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.760
_cell_length_b   4.760
_cell_length_c   4.760
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   76.269
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  P  P1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.250  0.250  0.250  1.0
  Se  Se3  1  0.750  0.750  0.750  1.0
[/CIF]
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