The crystal structure described by MgCo4(SbS)4 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a 1-coordinate geometry to one Co(2), three equivalent Co(1), three equivalent Sb(1), and one S(2) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(2), two equivalent Sb(1), one S(2), and two equivalent S(1) atoms. In the second Co site, Co(2) is bonded in a 4-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 6-coordinate geometry to one Mg(1), one Co(2), two equivalent Co(1), one S(1), and one S(2) atom. In the second Sb site, Sb(2) is bonded to three equivalent Co(1) and one S(2) atom to form distorted SbCo3S trigonal pyramids that share corners with six equivalent S(1)Co3Sb tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Co(2), two equivalent Co(1), and one Sb(1) atom to form distorted SCo3Sb tetrahedra that share corners with four equivalent S(1)Co3Sb tetrahedra and corners with two equivalent Sb(2)Co3S trigonal pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Co(1), one Sb(2), and three equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_MgCo4(SbS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.092
_cell_length_b   6.092
_cell_length_c   6.092
_cell_angle_alpha   89.648
_cell_angle_beta   90.352
_cell_angle_gamma   90.352
_symmetry_Int_Tables_number   1
_cell_volume   226.028
_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  0.294  0.706  0.206  1.0
  Co  Co1  1  0.487  0.967  0.531  1.0
  Co  Co2  1  0.969  0.513  0.467  1.0
  Co  Co3  1  0.529  0.471  0.971  1.0
  Co  Co4  1  0.033  0.031  0.013  1.0
  Sb  Sb5  1  0.120  0.621  0.824  1.0
  Sb  Sb6  1  0.676  0.880  0.121  1.0
  Sb  Sb7  1  0.848  0.152  0.652  1.0
  Sb  Sb8  1  0.379  0.324  0.380  1.0
  S  S9  1  0.885  0.389  0.113  1.0
  S  S10  1  0.387  0.115  0.889  1.0
  S  S11  1  0.086  0.914  0.414  1.0
  S  S12  1  0.611  0.613  0.615  1.0
[/CIF]
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The crystal structure described by MgCo4(SbS)4 crystallizes in the trigonal R3 space group. Mg(1) is bonded in a 1-coordinate geometry to one Co(2), three equivalent Co(1), three equivalent Sb(1), and one S(2) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(2), two equivalent Sb(1), one S(2), and two equivalent S(1) atoms. In the second Co site, Co(2) is bonded in a 4-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 6-coordinate geometry to one Mg(1), one Co(2), two equivalent Co(1), one S(1), and one S(2) atom. In the second Sb site, Sb(2) is bonded to three equivalent Co(1) and one S(2) atom to form distorted SbCo3S trigonal pyramids that share corners with six equivalent S(1)Co3Sb tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Co(2), two equivalent Co(1), and one Sb(1) atom to form distorted SCo3Sb tetrahedra that share corners with four equivalent S(1)Co3Sb tetrahedra and corners with two equivalent Sb(2)Co3S trigonal pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Co(1), one Sb(2), and three equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_MgCo4(SbS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.092
_cell_length_b   6.092
_cell_length_c   6.092
_cell_angle_alpha   89.648
_cell_angle_beta   90.352
_cell_angle_gamma   90.352
_symmetry_Int_Tables_number   1
_cell_volume   226.028
_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  0.294  0.706  0.206  1.0
  Co  Co1  1  0.487  0.967  0.531  1.0
  Co  Co2  1  0.969  0.513  0.467  1.0
  Co  Co3  1  0.529  0.471  0.971  1.0
  Co  Co4  1  0.033  0.031  0.013  1.0
  Sb  Sb5  1  0.120  0.621  0.824  1.0
  Sb  Sb6  1  0.676  0.880  0.121  1.0
  Sb  Sb7  1  0.848  0.152  0.652  1.0
  Sb  Sb8  1  0.379  0.324  0.380  1.0
  S  S9  1  0.885  0.389  0.113  1.0
  S  S10  1  0.387  0.115  0.889  1.0
  S  S11  1  0.086  0.914  0.414  1.0
  S  S12  1  0.611  0.613  0.615  1.0
[/CIF]
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