The compound described by Mg(CoS2)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a body-centered cubic geometry to one Co(1), one Co(3), two equivalent Co(2), one S(1), one S(6), and two equivalent S(5) atoms. There are three 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(4), two equivalent S(2), and two equivalent S(5) atoms. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom. In the third Co site, Co(3) is bonded in a 7-coordinate geometry to one Mg(1), one S(3), one S(6), two equivalent S(2), and two equivalent S(5) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), and two equivalent Co(2) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Co(3) and two equivalent Co(2) atoms. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one Co(3) atom. In the sixth S site, S(6) is bonded in a distorted single-bond geometry to one Mg(1), one Co(3), and two equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_Mg(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.998
_cell_length_b   7.011
_cell_length_c   6.989
_cell_angle_alpha   60.081
_cell_angle_beta   60.086
_cell_angle_gamma   60.109
_symmetry_Int_Tables_number   1
_cell_volume   242.989
_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  0.627  0.623  0.627  1.0
  Co  Co1  1  0.487  0.038  0.487  1.0
  Co  Co2  1  0.044  0.487  0.484  1.0
  Co  Co3  1  0.484  0.487  0.044  1.0
  Co  Co4  1  0.486  0.488  0.486  1.0
  S  S5  1  0.755  0.757  0.756  1.0
  S  S6  1  0.268  0.265  0.701  1.0
  S  S7  1  0.266  0.704  0.266  1.0
  S  S8  1  0.701  0.265  0.268  1.0
  S  S9  1  0.267  0.264  0.267  1.0
  S  S10  1  0.754  0.755  0.236  1.0
  S  S11  1  0.236  0.755  0.754  1.0
  S  S12  1  0.755  0.233  0.755  1.0
[/CIF]
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The compound described by Mg(CoS2)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a body-centered cubic geometry to one Co(1), one Co(3), two equivalent Co(2), one S(1), one S(6), and two equivalent S(5) atoms. There are three 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(4), two equivalent S(2), and two equivalent S(5) atoms. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to one Mg(1), one S(1), one S(2), one S(3), one S(4), one S(5), and one S(6) atom. In the third Co site, Co(3) is bonded in a 7-coordinate geometry to one Mg(1), one S(3), one S(6), two equivalent S(2), and two equivalent S(5) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), and two equivalent Co(2) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Co(3) and two equivalent Co(2) atoms. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Co(1) and two equivalent Co(2) atoms. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one Co(3) atom. In the sixth S site, S(6) is bonded in a distorted single-bond geometry to one Mg(1), one Co(3), and two equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_Mg(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.998
_cell_length_b   7.011
_cell_length_c   6.989
_cell_angle_alpha   60.081
_cell_angle_beta   60.086
_cell_angle_gamma   60.109
_symmetry_Int_Tables_number   1
_cell_volume   242.989
_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  0.627  0.623  0.627  1.0
  Co  Co1  1  0.487  0.038  0.487  1.0
  Co  Co2  1  0.044  0.487  0.484  1.0
  Co  Co3  1  0.484  0.487  0.044  1.0
  Co  Co4  1  0.486  0.488  0.486  1.0
  S  S5  1  0.755  0.757  0.756  1.0
  S  S6  1  0.268  0.265  0.701  1.0
  S  S7  1  0.266  0.704  0.266  1.0
  S  S8  1  0.701  0.265  0.268  1.0
  S  S9  1  0.267  0.264  0.267  1.0
  S  S10  1  0.754  0.755  0.236  1.0
  S  S11  1  0.236  0.755  0.754  1.0
  S  S12  1  0.755  0.233  0.755  1.0
[/CIF]
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