The structure described by Mg(CrS2)2 crystallizes in the tetragonal I-4 space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with four equivalent Cr(1)S4 tetrahedra and corners with four equivalent Cr(2)S4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent S(1) atoms to form CrS4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra and corners with four equivalent Cr(2)S4 tetrahedra. In the second Cr site, Cr(2) is bonded to four equivalent S(1) atoms to form CrS4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra and corners with four equivalent Cr(1)S4 tetrahedra. S(1) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_Mg(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.633
_cell_length_b   5.633
_cell_length_c   6.426
_cell_angle_alpha   115.996
_cell_angle_beta   115.996
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.993
_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  0.500  0.000  1.0
  Cr  Cr1  1  0.250  0.750  0.500  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.907  0.882  0.258  1.0
  S  S4  1  0.624  0.093  0.742  1.0
  S  S5  1  0.351  0.376  0.258  1.0
  S  S6  1  0.118  0.649  0.742  1.0
[/CIF]
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The structure described by Mg(CrS2)2 crystallizes in the tetragonal I-4 space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with four equivalent Cr(1)S4 tetrahedra and corners with four equivalent Cr(2)S4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent S(1) atoms to form CrS4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra and corners with four equivalent Cr(2)S4 tetrahedra. In the second Cr site, Cr(2) is bonded to four equivalent S(1) atoms to form CrS4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra and corners with four equivalent Cr(1)S4 tetrahedra. S(1) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_Mg(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.633
_cell_length_b   5.633
_cell_length_c   6.426
_cell_angle_alpha   115.996
_cell_angle_beta   115.996
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.993
_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  0.500  0.000  1.0
  Cr  Cr1  1  0.250  0.750  0.500  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.907  0.882  0.258  1.0
  S  S4  1  0.624  0.093  0.742  1.0
  S  S5  1  0.351  0.376  0.258  1.0
  S  S6  1  0.118  0.649  0.742  1.0
[/CIF]
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