The crystal structure described by LaCrOS2 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 3-coordinate geometry to two equivalent S(2), four equivalent S(1), and three equivalent O(1) atoms. Cr(1) is bonded to two equivalent S(1), three equivalent S(2), and one O(1) atom to form distorted edge-sharing CrS5O octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded to two equivalent La(1) and three equivalent Cr(1) atoms to form distorted SLa2Cr3 trigonal bipyramids that share corners with five equivalent O(1)La3Cr tetrahedra, corners with four equivalent S(2)La2Cr3 trigonal bipyramids, edges with two equivalent O(1)La3Cr tetrahedra, and edges with two equivalent S(2)La2Cr3 trigonal bipyramids. O(1) is bonded to three equivalent La(1) and one Cr(1) atom to form OLa3Cr tetrahedra that share corners with two equivalent O(1)La3Cr tetrahedra, corners with five equivalent S(2)La2Cr3 trigonal bipyramids, edges with two equivalent O(1)La3Cr tetrahedra, and edges with two equivalent S(2)La2Cr3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCrS2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.757
_cell_length_b   8.529
_cell_length_c   11.299
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.086
_cell_formula_units_Z   4
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  0.250  0.546  0.352  1.0
  La  La1  1  0.750  0.454  0.648  1.0
  La  La2  1  0.250  0.046  0.148  1.0
  La  La3  1  0.750  0.954  0.852  1.0
  Cr  Cr4  1  0.250  0.670  0.028  1.0
  Cr  Cr5  1  0.750  0.330  0.972  1.0
  Cr  Cr6  1  0.250  0.170  0.472  1.0
  Cr  Cr7  1  0.750  0.830  0.528  1.0
  S  S8  1  0.750  0.242  0.331  1.0
  S  S9  1  0.250  0.758  0.669  1.0
  S  S10  1  0.250  0.258  0.831  1.0
  S  S11  1  0.750  0.742  0.169  1.0
  S  S12  1  0.750  0.597  0.898  1.0
  S  S13  1  0.250  0.403  0.102  1.0
  S  S14  1  0.250  0.903  0.398  1.0
  S  S15  1  0.750  0.097  0.602  1.0
  O  O16  1  0.250  0.887  0.964  1.0
  O  O17  1  0.750  0.113  0.036  1.0
  O  O18  1  0.250  0.387  0.536  1.0
  O  O19  1  0.750  0.613  0.464  1.0
[/CIF]
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The crystal structure described by LaCrOS2 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 3-coordinate geometry to two equivalent S(2), four equivalent S(1), and three equivalent O(1) atoms. Cr(1) is bonded to two equivalent S(1), three equivalent S(2), and one O(1) atom to form distorted edge-sharing CrS5O octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded to two equivalent La(1) and three equivalent Cr(1) atoms to form distorted SLa2Cr3 trigonal bipyramids that share corners with five equivalent O(1)La3Cr tetrahedra, corners with four equivalent S(2)La2Cr3 trigonal bipyramids, edges with two equivalent O(1)La3Cr tetrahedra, and edges with two equivalent S(2)La2Cr3 trigonal bipyramids. O(1) is bonded to three equivalent La(1) and one Cr(1) atom to form OLa3Cr tetrahedra that share corners with two equivalent O(1)La3Cr tetrahedra, corners with five equivalent S(2)La2Cr3 trigonal bipyramids, edges with two equivalent O(1)La3Cr tetrahedra, and edges with two equivalent S(2)La2Cr3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCrS2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.757
_cell_length_b   8.529
_cell_length_c   11.299
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.086
_cell_formula_units_Z   4
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  0.250  0.546  0.352  1.0
  La  La1  1  0.750  0.454  0.648  1.0
  La  La2  1  0.250  0.046  0.148  1.0
  La  La3  1  0.750  0.954  0.852  1.0
  Cr  Cr4  1  0.250  0.670  0.028  1.0
  Cr  Cr5  1  0.750  0.330  0.972  1.0
  Cr  Cr6  1  0.250  0.170  0.472  1.0
  Cr  Cr7  1  0.750  0.830  0.528  1.0
  S  S8  1  0.750  0.242  0.331  1.0
  S  S9  1  0.250  0.758  0.669  1.0
  S  S10  1  0.250  0.258  0.831  1.0
  S  S11  1  0.750  0.742  0.169  1.0
  S  S12  1  0.750  0.597  0.898  1.0
  S  S13  1  0.250  0.403  0.102  1.0
  S  S14  1  0.250  0.903  0.398  1.0
  S  S15  1  0.750  0.097  0.602  1.0
  O  O16  1  0.250  0.887  0.964  1.0
  O  O17  1  0.750  0.113  0.036  1.0
  O  O18  1  0.250  0.387  0.536  1.0
  O  O19  1  0.750  0.613  0.464  1.0
[/CIF]
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