The structure described by MgCu2HgSnS4 crystallizes in the orthorhombic Fmm2 space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted MgS4 tetrahedra that share edges with four equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and edges with two equivalent Mg(1)S4 tetrahedra. Hg(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. Sn(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, 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. In the second S site, S(2) 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   5.708
_cell_length_b   5.708
_cell_length_c   7.545
_cell_angle_alpha   113.199
_cell_angle_beta   113.199
_cell_angle_gamma   87.620
_symmetry_Int_Tables_number   1
_cell_volume   205.815
_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  0.250  0.250  0.499  1.0
  Cu  Cu1  1  0.251  0.751  0.501  1.0
  Cu  Cu2  1  0.751  0.251  0.501  1.0
  Sn  Sn3  1  0.504  0.504  0.008  1.0
  Hg  Hg4  1  0.999  0.999  0.998  1.0
  S  S5  1  0.382  0.382  0.285  1.0
  S  S6  1  0.903  0.903  0.285  1.0
  S  S7  1  0.086  0.612  0.697  1.0
  S  S8  1  0.612  0.086  0.697  1.0
[/CIF]
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The structure described by MgCu2HgSnS4 crystallizes in the orthorhombic Fmm2 space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted MgS4 tetrahedra that share edges with four equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and edges with two equivalent Mg(1)S4 tetrahedra. Hg(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. Sn(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, 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. In the second S site, S(2) 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   5.708
_cell_length_b   5.708
_cell_length_c   7.545
_cell_angle_alpha   113.199
_cell_angle_beta   113.199
_cell_angle_gamma   87.620
_symmetry_Int_Tables_number   1
_cell_volume   205.815
_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  0.250  0.250  0.499  1.0
  Cu  Cu1  1  0.251  0.751  0.501  1.0
  Cu  Cu2  1  0.751  0.251  0.501  1.0
  Sn  Sn3  1  0.504  0.504  0.008  1.0
  Hg  Hg4  1  0.999  0.999  0.998  1.0
  S  S5  1  0.382  0.382  0.285  1.0
  S  S6  1  0.903  0.903  0.285  1.0
  S  S7  1  0.086  0.612  0.697  1.0
  S  S8  1  0.612  0.086  0.697  1.0
[/CIF]
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