The material described by Mg(CrS2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one S(5), one S(6), one S(7), and one S(8) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(3), one S(4), one S(6), and one S(8) atom to form distorted edge-sharing CrS5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one S(2), one S(3), one S(4), one S(5), and one S(7) atom to form distorted edge-sharing CrS5 trigonal bipyramids. In the third Cr site, Cr(3) is bonded to one S(1), one S(2), one S(3), one S(6), and one S(8) atom to form distorted edge-sharing CrS5 trigonal bipyramids. In the fourth Cr site, Cr(4) is bonded to one S(1), one S(2), one S(4), one S(5), and one S(7) atom to form distorted edge-sharing CrS5 trigonal bipyramids. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(3), and one Cr(4) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Cr(2), one Cr(3), and one Cr(4) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(3) atom. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(4) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(2), and one Cr(4) atom. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(1), and one Cr(3) atom. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(2), and one Cr(4) atom. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(1), and one Cr(3) atom. is represented by the CIF file [CIF]
data_Mg(CrS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.396
_cell_length_b   8.352
_cell_length_c   6.550
_cell_angle_alpha   67.859
_cell_angle_beta   67.877
_cell_angle_gamma   45.834
_symmetry_Int_Tables_number   1
_cell_volume   300.681
_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  0.380  0.372  0.363  1.0
  Cr  Cr1  1  0.563  0.566  0.430  1.0
  Cr  Cr2  1  0.951  0.417  0.568  1.0
  Cr  Cr3  1  0.566  0.567  0.943  1.0
  Cr  Cr4  1  0.419  0.948  0.568  1.0
  S  S5  1  0.288  0.768  0.722  1.0
  S  S6  1  0.720  0.725  0.759  1.0
  S  S7  1  0.764  0.291  0.722  1.0
  S  S8  1  0.719  0.722  0.306  1.0
  S  S9  1  0.235  0.232  0.280  1.0
  S  S10  1  0.750  0.279  0.233  1.0
  S  S11  1  0.244  0.242  0.740  1.0
  S  S12  1  0.280  0.748  0.234  1.0
[/CIF]
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The material described by Mg(CrS2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one S(5), one S(6), one S(7), and one S(8) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(3), one S(4), one S(6), and one S(8) atom to form distorted edge-sharing CrS5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one S(2), one S(3), one S(4), one S(5), and one S(7) atom to form distorted edge-sharing CrS5 trigonal bipyramids. In the third Cr site, Cr(3) is bonded to one S(1), one S(2), one S(3), one S(6), and one S(8) atom to form distorted edge-sharing CrS5 trigonal bipyramids. In the fourth Cr site, Cr(4) is bonded to one S(1), one S(2), one S(4), one S(5), and one S(7) atom to form distorted edge-sharing CrS5 trigonal bipyramids. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(3), and one Cr(4) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Cr(2), one Cr(3), and one Cr(4) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(3) atom. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(4) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(2), and one Cr(4) atom. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(1), and one Cr(3) atom. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(2), and one Cr(4) atom. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(1), and one Cr(3) atom. is represented by the CIF file [CIF]
data_Mg(CrS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.396
_cell_length_b   8.352
_cell_length_c   6.550
_cell_angle_alpha   67.859
_cell_angle_beta   67.877
_cell_angle_gamma   45.834
_symmetry_Int_Tables_number   1
_cell_volume   300.681
_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  0.380  0.372  0.363  1.0
  Cr  Cr1  1  0.563  0.566  0.430  1.0
  Cr  Cr2  1  0.951  0.417  0.568  1.0
  Cr  Cr3  1  0.566  0.567  0.943  1.0
  Cr  Cr4  1  0.419  0.948  0.568  1.0
  S  S5  1  0.288  0.768  0.722  1.0
  S  S6  1  0.720  0.725  0.759  1.0
  S  S7  1  0.764  0.291  0.722  1.0
  S  S8  1  0.719  0.722  0.306  1.0
  S  S9  1  0.235  0.232  0.280  1.0
  S  S10  1  0.750  0.279  0.233  1.0
  S  S11  1  0.244  0.242  0.740  1.0
  S  S12  1  0.280  0.748  0.234  1.0
[/CIF]
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