The material described by MgCo4(SbS)4 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a 11-coordinate geometry to one Co(2), three equivalent Co(1), one Sb(2), three equivalent Sb(1), and three equivalent S(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Mg(1), one Sb(2), two equivalent Sb(1), one S(1), and one S(2) atom. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent Sb(1), and three equivalent S(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), two equivalent Co(1), and one S(1) atom. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Co(1), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one Sb(1) atom. In the second S site, S(2) is bonded in a trigonal pyramidal geometry to three equivalent Co(1) and one Sb(2) atom. is represented by the CIF file [CIF]
data_MgCo4(SbS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.157
_cell_length_b   6.157
_cell_length_c   6.157
_cell_angle_alpha   84.704
_cell_angle_beta   95.296
_cell_angle_gamma   95.296
_symmetry_Int_Tables_number   1
_cell_volume   230.561
_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  0.703  0.297  0.797  1.0
  Co  Co1  1  0.505  0.974  0.490  1.0
  Co  Co2  1  0.010  0.495  0.474  1.0
  Co  Co3  1  0.487  0.513  0.013  1.0
  Co  Co4  1  0.026  0.990  0.995  1.0
  Sb  Sb5  1  0.115  0.629  0.868  1.0
  Sb  Sb6  1  0.632  0.885  0.129  1.0
  Sb  Sb7  1  0.925  0.075  0.575  1.0
  Sb  Sb8  1  0.371  0.368  0.385  1.0
  S  S9  1  0.847  0.425  0.147  1.0
  S  S10  1  0.353  0.153  0.925  1.0
  S  S11  1  0.145  0.855  0.355  1.0
  S  S12  1  0.575  0.647  0.653  1.0
[/CIF]
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The material described by MgCo4(SbS)4 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a 11-coordinate geometry to one Co(2), three equivalent Co(1), one Sb(2), three equivalent Sb(1), and three equivalent S(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Mg(1), one Sb(2), two equivalent Sb(1), one S(1), and one S(2) atom. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent Sb(1), and three equivalent S(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), two equivalent Co(1), and one S(1) atom. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Co(1), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one Sb(1) atom. In the second S site, S(2) is bonded in a trigonal pyramidal geometry to three equivalent Co(1) and one Sb(2) atom. is represented by the CIF file [CIF]
data_MgCo4(SbS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.157
_cell_length_b   6.157
_cell_length_c   6.157
_cell_angle_alpha   84.704
_cell_angle_beta   95.296
_cell_angle_gamma   95.296
_symmetry_Int_Tables_number   1
_cell_volume   230.561
_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  0.703  0.297  0.797  1.0
  Co  Co1  1  0.505  0.974  0.490  1.0
  Co  Co2  1  0.010  0.495  0.474  1.0
  Co  Co3  1  0.487  0.513  0.013  1.0
  Co  Co4  1  0.026  0.990  0.995  1.0
  Sb  Sb5  1  0.115  0.629  0.868  1.0
  Sb  Sb6  1  0.632  0.885  0.129  1.0
  Sb  Sb7  1  0.925  0.075  0.575  1.0
  Sb  Sb8  1  0.371  0.368  0.385  1.0
  S  S9  1  0.847  0.425  0.147  1.0
  S  S10  1  0.353  0.153  0.925  1.0
  S  S11  1  0.145  0.855  0.355  1.0
  S  S12  1  0.575  0.647  0.653  1.0
[/CIF]
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