The crystal structure described by MgLaS3 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent La(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent La(1), and one S(2) atom. is represented by the CIF card [CIF]
data_LaMgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.083
_cell_length_b   7.083
_cell_length_c   4.995
_cell_angle_alpha   82.437
_cell_angle_beta   82.437
_cell_angle_gamma   106.772
_symmetry_Int_Tables_number   1
_cell_volume   234.042
_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  0.160  0.160  0.683  1.0
  La  La1  1  0.840  0.840  0.317  1.0
  Mg  Mg2  1  0.302  0.698  0.000  1.0
  Mg  Mg3  1  0.698  0.302  0.000  1.0
  S  S4  1  0.004  0.709  0.802  1.0
  S  S5  1  0.996  0.291  0.198  1.0
  S  S6  1  0.291  0.996  0.198  1.0
  S  S7  1  0.709  0.004  0.802  1.0
  S  S8  1  0.493  0.493  0.294  1.0
  S  S9  1  0.507  0.507  0.706  1.0
[/CIF]
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The crystal structure described by MgLaS3 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent La(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent La(1), and one S(2) atom. is represented by the CIF card [CIF]
data_LaMgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.083
_cell_length_b   7.083
_cell_length_c   4.995
_cell_angle_alpha   82.437
_cell_angle_beta   82.437
_cell_angle_gamma   106.772
_symmetry_Int_Tables_number   1
_cell_volume   234.042
_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  0.160  0.160  0.683  1.0
  La  La1  1  0.840  0.840  0.317  1.0
  Mg  Mg2  1  0.302  0.698  0.000  1.0
  Mg  Mg3  1  0.698  0.302  0.000  1.0
  S  S4  1  0.004  0.709  0.802  1.0
  S  S5  1  0.996  0.291  0.198  1.0
  S  S6  1  0.291  0.996  0.198  1.0
  S  S7  1  0.709  0.004  0.802  1.0
  S  S8  1  0.493  0.493  0.294  1.0
  S  S9  1  0.507  0.507  0.706  1.0
[/CIF]
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