The material structure described by MgFeCu2SnS4 crystallizes in the tetragonal P-42m space group. Mg(1) is bonded in a 10-coordinate geometry to four equivalent Cu(1), two equivalent Sn(1), and four equivalent S(1) atoms. Fe(1) is bonded in a distorted tetrahedral geometry to four equivalent S(1) atoms. Cu(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 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 Fe(1), two equivalent Cu(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_MgFeCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.502
_cell_length_b   5.502
_cell_length_c   6.031
_cell_angle_alpha   90.005
_cell_angle_beta   90.003
_cell_angle_gamma   89.968
_symmetry_Int_Tables_number   1
_cell_volume   182.570
_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  1.000  0.500  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  0.500  1.0
  Sn  Sn4  1  1.000  1.000  0.000  1.0
  S  S5  1  0.279  0.279  0.278  1.0
  S  S6  1  0.279  0.721  0.722  1.0
  S  S7  1  0.721  0.279  0.722  1.0
  S  S8  1  0.721  0.721  0.278  1.0
[/CIF]
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The material structure described by MgFeCu2SnS4 crystallizes in the tetragonal P-42m space group. Mg(1) is bonded in a 10-coordinate geometry to four equivalent Cu(1), two equivalent Sn(1), and four equivalent S(1) atoms. Fe(1) is bonded in a distorted tetrahedral geometry to four equivalent S(1) atoms. Cu(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 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 Fe(1), two equivalent Cu(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_MgFeCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.502
_cell_length_b   5.502
_cell_length_c   6.031
_cell_angle_alpha   90.005
_cell_angle_beta   90.003
_cell_angle_gamma   89.968
_symmetry_Int_Tables_number   1
_cell_volume   182.570
_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  1.000  0.500  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  0.500  1.0
  Sn  Sn4  1  1.000  1.000  0.000  1.0
  S  S5  1  0.279  0.279  0.278  1.0
  S  S6  1  0.279  0.721  0.722  1.0
  S  S7  1  0.721  0.279  0.722  1.0
  S  S8  1  0.721  0.721  0.278  1.0
[/CIF]
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