The crystal structure described by MgYCrS4 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 Y(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. Y(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form YS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Y(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 Y(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 Y(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 Y(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YMgCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.652
_cell_length_b   7.567
_cell_length_c   7.567
_cell_angle_alpha   59.437
_cell_angle_beta   59.629
_cell_angle_gamma   59.629
_symmetry_Int_Tables_number   1
_cell_volume   306.744
_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
  Y  Y0  1  0.500  0.500  0.500  1.0
  Y  Y1  1  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.874  0.876  0.876  1.0
  Mg  Mg3  1  0.126  0.124  0.124  1.0
  Cr  Cr4  1  0.500  0.500  1.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.711  0.754  0.754  1.0
  S  S7  1  0.271  0.230  0.729  1.0
  S  S8  1  0.271  0.729  0.229  1.0
  S  S9  1  0.720  0.246  0.246  1.0
  S  S10  1  0.729  0.271  0.770  1.0
  S  S11  1  0.280  0.754  0.754  1.0
  S  S12  1  0.289  0.246  0.246  1.0
  S  S13  1  0.729  0.771  0.271  1.0
[/CIF]
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The crystal structure described by MgYCrS4 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 Y(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. Y(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form YS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Y(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 Y(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 Y(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 Y(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YMgCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.652
_cell_length_b   7.567
_cell_length_c   7.567
_cell_angle_alpha   59.437
_cell_angle_beta   59.629
_cell_angle_gamma   59.629
_symmetry_Int_Tables_number   1
_cell_volume   306.744
_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
  Y  Y0  1  0.500  0.500  0.500  1.0
  Y  Y1  1  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.874  0.876  0.876  1.0
  Mg  Mg3  1  0.126  0.124  0.124  1.0
  Cr  Cr4  1  0.500  0.500  1.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.711  0.754  0.754  1.0
  S  S7  1  0.271  0.230  0.729  1.0
  S  S8  1  0.271  0.729  0.229  1.0
  S  S9  1  0.720  0.246  0.246  1.0
  S  S10  1  0.729  0.271  0.770  1.0
  S  S11  1  0.280  0.754  0.754  1.0
  S  S12  1  0.289  0.246  0.246  1.0
  S  S13  1  0.729  0.771  0.271  1.0
[/CIF]
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