The structure described by Mg(CrS2)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one S(1), one S(6), and two equivalent S(2) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(3), one S(4), one S(5), and one S(6) atom to form distorted edge-sharing CrS5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one S(3), two equivalent S(2), and two equivalent S(5) atoms to form distorted edge-sharing CrS5 trigonal bipyramids. In the third Cr site, Cr(3) is bonded in a 5-coordinate geometry to one S(4), 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 distorted T-shaped geometry to one Mg(1) and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(2), and one Cr(3) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Cr(1) atoms. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Cr(3) and two equivalent Cr(1) atoms. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(3) atom. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_Mg(CrS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.561
_cell_length_b   8.441
_cell_length_c   8.404
_cell_angle_alpha   45.507
_cell_angle_beta   67.101
_cell_angle_gamma   67.184
_symmetry_Int_Tables_number   1
_cell_volume   301.158
_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  0.626  0.620  0.628  1.0
  Cr  Cr1  1  0.572  0.437  0.434  1.0
  Cr  Cr2  1  0.433  0.049  0.585  1.0
  Cr  Cr3  1  0.057  0.437  0.434  1.0
  Cr  Cr4  1  0.432  0.583  0.052  1.0
  S  S5  1  0.765  0.250  0.721  1.0
  S  S6  1  0.723  0.761  0.764  1.0
  S  S7  1  0.277  0.237  0.710  1.0
  S  S8  1  0.277  0.715  0.231  1.0
  S  S9  1  0.243  0.281  0.278  1.0
  S  S10  1  0.764  0.721  0.251  1.0
  S  S11  1  0.253  0.760  0.763  1.0
  S  S12  1  0.697  0.280  0.278  1.0
[/CIF]
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The structure described by Mg(CrS2)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one S(1), one S(6), and two equivalent S(2) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(3), one S(4), one S(5), and one S(6) atom to form distorted edge-sharing CrS5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one S(3), two equivalent S(2), and two equivalent S(5) atoms to form distorted edge-sharing CrS5 trigonal bipyramids. In the third Cr site, Cr(3) is bonded in a 5-coordinate geometry to one S(4), 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 distorted T-shaped geometry to one Mg(1) and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(2), and one Cr(3) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Cr(1) atoms. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Cr(3) and two equivalent Cr(1) atoms. In the fifth S site, S(5) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(3) atom. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_Mg(CrS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.561
_cell_length_b   8.441
_cell_length_c   8.404
_cell_angle_alpha   45.507
_cell_angle_beta   67.101
_cell_angle_gamma   67.184
_symmetry_Int_Tables_number   1
_cell_volume   301.158
_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  0.626  0.620  0.628  1.0
  Cr  Cr1  1  0.572  0.437  0.434  1.0
  Cr  Cr2  1  0.433  0.049  0.585  1.0
  Cr  Cr3  1  0.057  0.437  0.434  1.0
  Cr  Cr4  1  0.432  0.583  0.052  1.0
  S  S5  1  0.765  0.250  0.721  1.0
  S  S6  1  0.723  0.761  0.764  1.0
  S  S7  1  0.277  0.237  0.710  1.0
  S  S8  1  0.277  0.715  0.231  1.0
  S  S9  1  0.243  0.281  0.278  1.0
  S  S10  1  0.764  0.721  0.251  1.0
  S  S11  1  0.253  0.760  0.763  1.0
  S  S12  1  0.697  0.280  0.278  1.0
[/CIF]
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