The material structure described by MgFeCu2SnS4 crystallizes in the monoclinic P2 space group. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Fe(1), two equivalent Cu(1), two equivalent Sn(1), two equivalent S(1), and two equivalent S(2) atoms. Fe(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent S(1), and two equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. Sn(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), 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), one Fe(1), one Cu(1), one Cu(2), and one Sn(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(1), one Cu(1), one Cu(2), and one Sn(1) atom. is represented by the CIF card [CIF]
data_MgFeCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.474
_cell_length_b   6.172
_cell_length_c   5.423
_cell_angle_alpha   89.951
_cell_angle_beta   89.983
_cell_angle_gamma   89.419
_symmetry_Int_Tables_number   1
_cell_volume   183.215
_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  1.000  0.500  0.999  1.0
  Fe  Fe1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.499  1.0
  Sn  Sn4  1  0.000  1.000  0.004  1.0
  S  S5  1  0.282  0.283  0.273  1.0
  S  S6  1  0.278  0.719  0.726  1.0
  S  S7  1  0.721  0.281  0.726  1.0
  S  S8  1  0.718  0.717  0.273  1.0
[/CIF]
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The material structure described by MgFeCu2SnS4 crystallizes in the monoclinic P2 space group. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Fe(1), two equivalent Cu(1), two equivalent Sn(1), two equivalent S(1), and two equivalent S(2) atoms. Fe(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent S(1), and two equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. Sn(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), 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), one Fe(1), one Cu(1), one Cu(2), and one Sn(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(1), one Cu(1), one Cu(2), and one Sn(1) atom. is represented by the CIF card [CIF]
data_MgFeCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.474
_cell_length_b   6.172
_cell_length_c   5.423
_cell_angle_alpha   89.951
_cell_angle_beta   89.983
_cell_angle_gamma   89.419
_symmetry_Int_Tables_number   1
_cell_volume   183.215
_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  1.000  0.500  0.999  1.0
  Fe  Fe1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.499  1.0
  Sn  Sn4  1  0.000  1.000  0.004  1.0
  S  S5  1  0.282  0.283  0.273  1.0
  S  S6  1  0.278  0.719  0.726  1.0
  S  S7  1  0.721  0.281  0.726  1.0
  S  S8  1  0.718  0.717  0.273  1.0
[/CIF]
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