The structure described by MgFeCu2SnS4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one Cu(1), one Cu(2), two equivalent Sn(1), one S(1), one S(2), one S(3), and one S(4) atom to form distorted MgCu2Sn2S4 tetrahedra that share corners with two equivalent Mg(1)Cu2Sn2S4 tetrahedra and edges with two equivalent Fe(1)S4 tetrahedra. Fe(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form distorted FeS4 tetrahedra that share edges with two equivalent Mg(1)Cu2Sn2S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. Sn(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. There are four 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. In the third S site, S(3) 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 fourth S site, S(4) 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 Crystallographic Information File (CIF) [CIF]
data_MgFeCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.292
_cell_length_b   5.480
_cell_length_c   6.640
_cell_angle_alpha   114.312
_cell_angle_beta   118.033
_cell_angle_gamma   90.098
_symmetry_Int_Tables_number   1
_cell_volume   178.644
_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  1.000  1.0
  Fe  Fe1  1  0.000  1.000  0.000  1.0
  Cu  Cu2  1  0.270  0.770  0.540  1.0
  Cu  Cu3  1  0.729  0.230  0.459  1.0
  Sn  Sn4  1  0.501  0.498  0.001  1.0
  S  S5  1  0.065  0.079  0.717  1.0
  S  S6  1  0.349  0.920  0.281  1.0
  S  S7  1  0.935  0.363  0.283  1.0
  S  S8  1  0.651  0.639  0.719  1.0
[/CIF]
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The structure described by MgFeCu2SnS4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one Cu(1), one Cu(2), two equivalent Sn(1), one S(1), one S(2), one S(3), and one S(4) atom to form distorted MgCu2Sn2S4 tetrahedra that share corners with two equivalent Mg(1)Cu2Sn2S4 tetrahedra and edges with two equivalent Fe(1)S4 tetrahedra. Fe(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form distorted FeS4 tetrahedra that share edges with two equivalent Mg(1)Cu2Sn2S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. Sn(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), one S(1), one S(2), one S(3), and one S(4) atom. There are four 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. In the third S site, S(3) 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 fourth S site, S(4) 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 Crystallographic Information File (CIF) [CIF]
data_MgFeCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.292
_cell_length_b   5.480
_cell_length_c   6.640
_cell_angle_alpha   114.312
_cell_angle_beta   118.033
_cell_angle_gamma   90.098
_symmetry_Int_Tables_number   1
_cell_volume   178.644
_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  1.000  1.0
  Fe  Fe1  1  0.000  1.000  0.000  1.0
  Cu  Cu2  1  0.270  0.770  0.540  1.0
  Cu  Cu3  1  0.729  0.230  0.459  1.0
  Sn  Sn4  1  0.501  0.498  0.001  1.0
  S  S5  1  0.065  0.079  0.717  1.0
  S  S6  1  0.349  0.920  0.281  1.0
  S  S7  1  0.935  0.363  0.283  1.0
  S  S8  1  0.651  0.639  0.719  1.0
[/CIF]
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