The structure described by MgLaCrS4 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 La(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-67°. La(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(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 La(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 La(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 La(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMgCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.912
_cell_length_b   7.733
_cell_length_c   7.733
_cell_angle_alpha   58.953
_cell_angle_beta   59.234
_cell_angle_gamma   59.232
_symmetry_Int_Tables_number   1
_cell_volume   327.962
_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
  La  La0  1  0.500  0.500  0.500  1.0
  La  La1  1  1.000  0.500  0.500  1.0
  Mg  Mg2  1  0.872  0.878  0.878  1.0
  Mg  Mg3  1  0.128  0.122  0.122  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  0.700  0.761  0.761  1.0
  S  S7  1  0.275  0.216  0.733  1.0
  S  S8  1  0.275  0.733  0.216  1.0
  S  S9  1  0.722  0.239  0.239  1.0
  S  S10  1  0.725  0.267  0.784  1.0
  S  S11  1  0.278  0.761  0.761  1.0
  S  S12  1  0.300  0.239  0.239  1.0
  S  S13  1  0.725  0.784  0.267  1.0
[/CIF]
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The structure described by MgLaCrS4 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 La(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-67°. La(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(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 La(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 La(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 La(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMgCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.912
_cell_length_b   7.733
_cell_length_c   7.733
_cell_angle_alpha   58.953
_cell_angle_beta   59.234
_cell_angle_gamma   59.232
_symmetry_Int_Tables_number   1
_cell_volume   327.962
_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
  La  La0  1  0.500  0.500  0.500  1.0
  La  La1  1  1.000  0.500  0.500  1.0
  Mg  Mg2  1  0.872  0.878  0.878  1.0
  Mg  Mg3  1  0.128  0.122  0.122  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  0.700  0.761  0.761  1.0
  S  S7  1  0.275  0.216  0.733  1.0
  S  S8  1  0.275  0.733  0.216  1.0
  S  S9  1  0.722  0.239  0.239  1.0
  S  S10  1  0.725  0.267  0.784  1.0
  S  S11  1  0.278  0.761  0.761  1.0
  S  S12  1  0.300  0.239  0.239  1.0
  S  S13  1  0.725  0.784  0.267  1.0
[/CIF]
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