The material structure described by MgCu2HgSnS4 crystallizes in the orthorhombic I222 space group. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Cu(1), two equivalent Hg(1), two equivalent Sn(1), and four equivalent S(1) atoms. Cu(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent S(1) atoms. Hg(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent S(1) atoms. Sn(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and four equivalent S(1) atoms. S(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Cu(1), one Hg(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2SnHgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.013
_cell_length_b   6.459
_cell_length_c   6.856
_cell_angle_alpha   118.104
_cell_angle_beta   116.011
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   203.787
_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
  Mg  Mg0  1  0.500  0.000  0.000  1.0
  Cu  Cu1  1  0.243  0.743  0.487  1.0
  Cu  Cu2  1  0.757  0.257  0.513  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  Hg  Hg4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.407  0.366  0.297  1.0
  S  S6  1  0.890  0.931  0.297  1.0
  S  S7  1  0.110  0.634  0.703  1.0
  S  S8  1  0.593  0.069  0.703  1.0
[/CIF]
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The material structure described by MgCu2HgSnS4 crystallizes in the orthorhombic I222 space group. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Cu(1), two equivalent Hg(1), two equivalent Sn(1), and four equivalent S(1) atoms. Cu(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent S(1) atoms. Hg(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent S(1) atoms. Sn(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and four equivalent S(1) atoms. S(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Cu(1), one Hg(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu2SnHgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.013
_cell_length_b   6.459
_cell_length_c   6.856
_cell_angle_alpha   118.104
_cell_angle_beta   116.011
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   203.787
_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
  Mg  Mg0  1  0.500  0.000  0.000  1.0
  Cu  Cu1  1  0.243  0.743  0.487  1.0
  Cu  Cu2  1  0.757  0.257  0.513  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  Hg  Hg4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.407  0.366  0.297  1.0
  S  S6  1  0.890  0.931  0.297  1.0
  S  S7  1  0.110  0.634  0.703  1.0
  S  S8  1  0.593  0.069  0.703  1.0
[/CIF]
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