The material structure described by MgCu3TeS3Cl crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one S(2), two equivalent S(1), and one Cl(1) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Te(1), one S(2), and two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Te(1), one S(2), and two equivalent S(1) atoms. Te(1) is bonded in a 6-coordinate geometry to one Cu(2), two equivalent Cu(1), one S(2), and two equivalent S(1) 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), one Cu(2), two equivalent Cu(1), and one Te(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Cu(2), two equivalent Cu(1), and one Te(1) atom. Cl(1) is bonded in a single-bond geometry to one Mg(1) atom. is represented by the CIF file [CIF]
data_MgCu3TeS3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   5.917
_cell_length_c   5.910
_cell_angle_alpha   89.998
_cell_angle_beta   90.205
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   206.643
_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  0.706  0.706  0.706  1.0
  Cu  Cu1  1  0.844  0.842  0.197  1.0
  Cu  Cu2  1  0.843  0.197  0.843  1.0
  Cu  Cu3  1  0.197  0.842  0.844  1.0
  Te  Te4  1  0.162  0.161  0.162  1.0
  S  S5  1  0.543  0.980  0.981  1.0
  S  S6  1  0.982  0.543  0.982  1.0
  S  S7  1  0.981  0.980  0.543  1.0
  Cl  Cl8  1  0.488  0.484  0.488  1.0
[/CIF]
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The material structure described by MgCu3TeS3Cl crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one S(2), two equivalent S(1), and one Cl(1) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Te(1), one S(2), and two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Te(1), one S(2), and two equivalent S(1) atoms. Te(1) is bonded in a 6-coordinate geometry to one Cu(2), two equivalent Cu(1), one S(2), and two equivalent S(1) 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), one Cu(2), two equivalent Cu(1), and one Te(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Cu(2), two equivalent Cu(1), and one Te(1) atom. Cl(1) is bonded in a single-bond geometry to one Mg(1) atom. is represented by the CIF file [CIF]
data_MgCu3TeS3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   5.917
_cell_length_c   5.910
_cell_angle_alpha   89.998
_cell_angle_beta   90.205
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   206.643
_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  0.706  0.706  0.706  1.0
  Cu  Cu1  1  0.844  0.842  0.197  1.0
  Cu  Cu2  1  0.843  0.197  0.843  1.0
  Cu  Cu3  1  0.197  0.842  0.844  1.0
  Te  Te4  1  0.162  0.161  0.162  1.0
  S  S5  1  0.543  0.980  0.981  1.0
  S  S6  1  0.982  0.543  0.982  1.0
  S  S7  1  0.981  0.980  0.543  1.0
  Cl  Cl8  1  0.488  0.484  0.488  1.0
[/CIF]
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