The structure described by MgLaMnS4 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 Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-67°. 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 Mn(1)S6 octahedra. Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(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 Mn(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 Mn(1) atom. is represented by the CIF card [CIF]
data_LaMgMnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.030
_cell_length_b   7.738
_cell_length_c   7.738
_cell_angle_alpha   59.923
_cell_angle_beta   58.725
_cell_angle_gamma   58.754
_symmetry_Int_Tables_number   1
_cell_volume   333.153
_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  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.873  0.878  0.877  1.0
  Mg  Mg3  1  0.127  0.122  0.123  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.706  0.764  0.764  1.0
  S  S7  1  0.276  0.218  0.729  1.0
  S  S8  1  0.276  0.729  0.219  1.0
  S  S9  1  0.733  0.236  0.237  1.0
  S  S10  1  0.724  0.271  0.782  1.0
  S  S11  1  0.267  0.764  0.763  1.0
  S  S12  1  0.294  0.236  0.236  1.0
  S  S13  1  0.724  0.782  0.271  1.0
[/CIF]
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The structure described by MgLaMnS4 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 Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-67°. 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 Mn(1)S6 octahedra. Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(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 Mn(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 Mn(1) atom. is represented by the CIF card [CIF]
data_LaMgMnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.030
_cell_length_b   7.738
_cell_length_c   7.738
_cell_angle_alpha   59.923
_cell_angle_beta   58.725
_cell_angle_gamma   58.754
_symmetry_Int_Tables_number   1
_cell_volume   333.153
_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  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.873  0.878  0.877  1.0
  Mg  Mg3  1  0.127  0.122  0.123  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.706  0.764  0.764  1.0
  S  S7  1  0.276  0.218  0.729  1.0
  S  S8  1  0.276  0.729  0.219  1.0
  S  S9  1  0.733  0.236  0.237  1.0
  S  S10  1  0.724  0.271  0.782  1.0
  S  S11  1  0.267  0.764  0.763  1.0
  S  S12  1  0.294  0.236  0.236  1.0
  S  S13  1  0.724  0.782  0.271  1.0
[/CIF]
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