The compound described by Mg(CoS2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 11-coordinate geometry to one Co(1), one Co(2), one Co(3), one Co(4), one S(1), one S(3), one S(4), one S(5), one S(6), one S(7), and one S(8) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(3), one S(4), one S(6), one S(7), and one S(8) atom. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Mg(1), one S(2), one S(3), one S(4), one S(5), one S(6), and one S(7) atom. In the third Co site, Co(3) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(2), one S(4), one S(5), one S(7), and one S(8) atom. In the fourth Co site, Co(4) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), one S(5), one S(6), and one S(8) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(3), one Co(4), and one S(8) atom. In the second S site, S(2) is bonded in a distorted tetrahedral geometry to one Co(2), one Co(3), one Co(4), and one S(5) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Co(4), and one S(6) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Co(3), and one S(7) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Mg(1), one Co(2), one Co(3), one Co(4), and one S(2) atom. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Co(4), and one S(3) atom. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Co(3), and one S(4) atom. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(3), one Co(4), and one S(1) atom. is represented by the CIF file [CIF]
data_Mg(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.791
_cell_length_b   5.801
_cell_length_c   5.817
_cell_angle_alpha   91.793
_cell_angle_beta   88.128
_cell_angle_gamma   91.782
_symmetry_Int_Tables_number   1
_cell_volume   195.130
_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  0.798  0.702  0.297  1.0
  Co  Co1  1  0.033  0.468  0.534  1.0
  Co  Co2  1  0.994  0.999  0.978  1.0
  Co  Co3  1  0.480  0.505  0.001  1.0
  Co  Co4  1  0.501  0.021  0.495  1.0
  S  S5  1  0.396  0.391  0.398  1.0
  S  S6  1  0.375  0.125  0.875  1.0
  S  S7  1  0.897  0.104  0.609  1.0
  S  S8  1  0.109  0.603  0.897  1.0
  S  S9  1  0.580  0.921  0.078  1.0
  S  S10  1  0.138  0.903  0.402  1.0
  S  S11  1  0.899  0.362  0.095  1.0
  S  S12  1  0.597  0.599  0.638  1.0
[/CIF]
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The compound described by Mg(CoS2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 11-coordinate geometry to one Co(1), one Co(2), one Co(3), one Co(4), one S(1), one S(3), one S(4), one S(5), one S(6), one S(7), and one S(8) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(3), one S(4), one S(6), one S(7), and one S(8) atom. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Mg(1), one S(2), one S(3), one S(4), one S(5), one S(6), and one S(7) atom. In the third Co site, Co(3) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(2), one S(4), one S(5), one S(7), and one S(8) atom. In the fourth Co site, Co(4) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), one S(5), one S(6), and one S(8) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(3), one Co(4), and one S(8) atom. In the second S site, S(2) is bonded in a distorted tetrahedral geometry to one Co(2), one Co(3), one Co(4), and one S(5) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Co(4), and one S(6) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Co(3), and one S(7) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Mg(1), one Co(2), one Co(3), one Co(4), and one S(2) atom. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Co(4), and one S(3) atom. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Co(3), and one S(4) atom. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(3), one Co(4), and one S(1) atom. is represented by the CIF file [CIF]
data_Mg(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.791
_cell_length_b   5.801
_cell_length_c   5.817
_cell_angle_alpha   91.793
_cell_angle_beta   88.128
_cell_angle_gamma   91.782
_symmetry_Int_Tables_number   1
_cell_volume   195.130
_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  0.798  0.702  0.297  1.0
  Co  Co1  1  0.033  0.468  0.534  1.0
  Co  Co2  1  0.994  0.999  0.978  1.0
  Co  Co3  1  0.480  0.505  0.001  1.0
  Co  Co4  1  0.501  0.021  0.495  1.0
  S  S5  1  0.396  0.391  0.398  1.0
  S  S6  1  0.375  0.125  0.875  1.0
  S  S7  1  0.897  0.104  0.609  1.0
  S  S8  1  0.109  0.603  0.897  1.0
  S  S9  1  0.580  0.921  0.078  1.0
  S  S10  1  0.138  0.903  0.402  1.0
  S  S11  1  0.899  0.362  0.095  1.0
  S  S12  1  0.597  0.599  0.638  1.0
[/CIF]
.