The structure described by MgFeCuS2 is Modderite-derived structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent Cu(1) and three equivalent S(1) atoms. Fe(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing FeS6 octahedra. Cu(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_MgFeCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.416
_cell_length_b   3.416
_cell_length_c   7.914
_cell_angle_alpha   77.450
_cell_angle_beta   77.450
_cell_angle_gamma   60.006
_symmetry_Int_Tables_number   1
_cell_volume   77.410
_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  0.123  0.123  0.628  1.0
  Fe  Fe1  1  0.991  0.991  0.027  1.0
  Cu  Cu2  1  0.874  0.874  0.375  1.0
  S  S3  1  0.711  0.711  0.867  1.0
  S  S4  1  0.274  0.274  0.177  1.0
[/CIF]
.
The structure described by MgFeCuS2 is Modderite-derived structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent Cu(1) and three equivalent S(1) atoms. Fe(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing FeS6 octahedra. Cu(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Fe(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_MgFeCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.416
_cell_length_b   3.416
_cell_length_c   7.914
_cell_angle_alpha   77.450
_cell_angle_beta   77.450
_cell_angle_gamma   60.006
_symmetry_Int_Tables_number   1
_cell_volume   77.410
_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  0.123  0.123  0.628  1.0
  Fe  Fe1  1  0.991  0.991  0.027  1.0
  Cu  Cu2  1  0.874  0.874  0.375  1.0
  S  S3  1  0.711  0.711  0.867  1.0
  S  S4  1  0.274  0.274  0.177  1.0
[/CIF]
.