The material described by MgMnCu2SnS4 crystallizes in the orthorhombic I222 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1), two equivalent Sn(1), and four equivalent S(1) atoms. Mn(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. Cu(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent S(1) atoms. Sn(1) is bonded in a 6-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), one Mn(1), two equivalent Cu(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.817
_cell_length_b   6.300
_cell_length_c   6.655
_cell_angle_alpha   118.248
_cell_angle_beta   115.912
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   186.543
_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
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.770  0.270  0.539  1.0
  Cu  Cu3  1  0.230  0.730  0.461  1.0
  Sn  Sn4  1  0.500  0.500  0.000  1.0
  S  S5  1  0.909  0.937  0.288  1.0
  S  S6  1  0.379  0.351  0.288  1.0
  S  S7  1  0.090  0.649  0.712  1.0
  S  S8  1  0.621  0.063  0.712  1.0
[/CIF]
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The material described by MgMnCu2SnS4 crystallizes in the orthorhombic I222 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1), two equivalent Sn(1), and four equivalent S(1) atoms. Mn(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. Cu(1) is bonded in a 5-coordinate geometry to one Mg(1) and four equivalent S(1) atoms. Sn(1) is bonded in a 6-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), one Mn(1), two equivalent Cu(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.817
_cell_length_b   6.300
_cell_length_c   6.655
_cell_angle_alpha   118.248
_cell_angle_beta   115.912
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   186.543
_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
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.770  0.270  0.539  1.0
  Cu  Cu3  1  0.230  0.730  0.461  1.0
  Sn  Sn4  1  0.500  0.500  0.000  1.0
  S  S5  1  0.909  0.937  0.288  1.0
  S  S6  1  0.379  0.351  0.288  1.0
  S  S7  1  0.090  0.649  0.712  1.0
  S  S8  1  0.621  0.063  0.712  1.0
[/CIF]
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