The material described by MgCo2(SbS)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 5-coordinate geometry to two equivalent Co(1), two equivalent Sb(2), one S(1), and two equivalent S(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to two equivalent Mg(1), one Sb(1), two equivalent Sb(2), and two equivalent S(1) atoms. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one Sb(2), two equivalent Sb(1), one S(1), and two equivalent S(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Co(1), two equivalent Co(2), and one S(2) atom to form distorted corner-sharing SbCo3S tetrahedra. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Co(2), and two equivalent Co(1) atoms. 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(2), and two equivalent Co(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent Co(2), and one Sb(1) atom. is represented by the CIF card [CIF]
data_MgCo2(SbS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.454
_cell_length_b   5.533
_cell_length_c   6.982
_cell_angle_alpha   101.556
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   130.739
_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  0.500  0.475  0.819  1.0
  Co  Co1  1  0.000  0.241  0.076  1.0
  Co  Co2  1  0.500  0.742  0.466  1.0
  Sb  Sb3  1  0.000  0.020  0.356  1.0
  Sb  Sb4  1  0.500  0.980  0.849  1.0
  S  S5  1  0.500  0.485  0.175  1.0
  S  S6  1  0.000  0.488  0.566  1.0
[/CIF]
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The material described by MgCo2(SbS)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 5-coordinate geometry to two equivalent Co(1), two equivalent Sb(2), one S(1), and two equivalent S(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to two equivalent Mg(1), one Sb(1), two equivalent Sb(2), and two equivalent S(1) atoms. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one Sb(2), two equivalent Sb(1), one S(1), and two equivalent S(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Co(1), two equivalent Co(2), and one S(2) atom to form distorted corner-sharing SbCo3S tetrahedra. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Co(2), and two equivalent Co(1) atoms. 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(2), and two equivalent Co(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent Co(2), and one Sb(1) atom. is represented by the CIF card [CIF]
data_MgCo2(SbS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.454
_cell_length_b   5.533
_cell_length_c   6.982
_cell_angle_alpha   101.556
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   130.739
_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  0.500  0.475  0.819  1.0
  Co  Co1  1  0.000  0.241  0.076  1.0
  Co  Co2  1  0.500  0.742  0.466  1.0
  Sb  Sb3  1  0.000  0.020  0.356  1.0
  Sb  Sb4  1  0.500  0.980  0.849  1.0
  S  S5  1  0.500  0.485  0.175  1.0
  S  S6  1  0.000  0.488  0.566  1.0
[/CIF]
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