The compound described by MgDyCrS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Dy(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. Dy(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form DyS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Dy(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Dy(1), and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Dy(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_DyMgCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.657
_cell_length_b   7.559
_cell_length_c   7.560
_cell_angle_alpha   59.322
_cell_angle_beta   59.575
_cell_angle_gamma   59.575
_symmetry_Int_Tables_number   1
_cell_volume   305.823
_cell_formula_units_Z   2
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
  Dy  Dy0  1  0.500  0.500  0.500  1.0
  Dy  Dy1  1  1.000  0.500  0.500  1.0
  Mg  Mg2  1  0.875  0.875  0.875  1.0
  Mg  Mg3  1  0.125  0.125  0.125  1.0
  Cr  Cr4  1  0.500  0.500  1.000  1.0
  Cr  Cr5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.711  0.755  0.755  1.0
  S  S7  1  0.271  0.229  0.729  1.0
  S  S8  1  0.271  0.729  0.229  1.0
  S  S9  1  0.720  0.245  0.245  1.0
  S  S10  1  0.729  0.271  0.771  1.0
  S  S11  1  0.280  0.755  0.755  1.0
  S  S12  1  0.289  0.245  0.245  1.0
  S  S13  1  0.729  0.771  0.271  1.0
[/CIF]
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The compound described by MgDyCrS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Dy(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. Dy(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form DyS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Dy(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Dy(1), and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Dy(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_DyMgCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.657
_cell_length_b   7.559
_cell_length_c   7.560
_cell_angle_alpha   59.322
_cell_angle_beta   59.575
_cell_angle_gamma   59.575
_symmetry_Int_Tables_number   1
_cell_volume   305.823
_cell_formula_units_Z   2
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
  Dy  Dy0  1  0.500  0.500  0.500  1.0
  Dy  Dy1  1  1.000  0.500  0.500  1.0
  Mg  Mg2  1  0.875  0.875  0.875  1.0
  Mg  Mg3  1  0.125  0.125  0.125  1.0
  Cr  Cr4  1  0.500  0.500  1.000  1.0
  Cr  Cr5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.711  0.755  0.755  1.0
  S  S7  1  0.271  0.229  0.729  1.0
  S  S8  1  0.271  0.729  0.229  1.0
  S  S9  1  0.720  0.245  0.245  1.0
  S  S10  1  0.729  0.271  0.771  1.0
  S  S11  1  0.280  0.755  0.755  1.0
  S  S12  1  0.289  0.245  0.245  1.0
  S  S13  1  0.729  0.771  0.271  1.0
[/CIF]
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