The crystal structure described by LaScO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Sc(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent Sc(1) atoms to form distorted corner-sharing OLa2Sc2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Sc(1) atoms. is represented by the CIF file [CIF]
data_LaScO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.804
_cell_length_c   8.102
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.321
_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  0.011  0.955  0.250  1.0
  La  La1  1  0.511  0.545  0.750  1.0
  La  La2  1  0.489  0.455  0.250  1.0
  La  La3  1  0.989  0.045  0.750  1.0
  Sc  Sc4  1  0.000  0.500  0.000  1.0
  Sc  Sc5  1  0.500  0.000  0.000  1.0
  Sc  Sc6  1  0.500  0.000  0.500  1.0
  Sc  Sc7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.899  0.534  0.250  1.0
  O  O9  1  0.399  0.966  0.750  1.0
  O  O10  1  0.601  0.034  0.250  1.0
  O  O11  1  0.101  0.466  0.750  1.0
  O  O12  1  0.704  0.296  0.946  1.0
  O  O13  1  0.204  0.204  0.054  1.0
  O  O14  1  0.796  0.796  0.554  1.0
  O  O15  1  0.296  0.704  0.446  1.0
  O  O16  1  0.296  0.704  0.054  1.0
  O  O17  1  0.796  0.796  0.946  1.0
  O  O18  1  0.204  0.204  0.446  1.0
  O  O19  1  0.704  0.296  0.554  1.0
[/CIF]
.
The crystal structure described by LaScO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Sc(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent Sc(1) atoms to form distorted corner-sharing OLa2Sc2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Sc(1) atoms. is represented by the CIF file [CIF]
data_LaScO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.804
_cell_length_c   8.102
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.321
_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  0.011  0.955  0.250  1.0
  La  La1  1  0.511  0.545  0.750  1.0
  La  La2  1  0.489  0.455  0.250  1.0
  La  La3  1  0.989  0.045  0.750  1.0
  Sc  Sc4  1  0.000  0.500  0.000  1.0
  Sc  Sc5  1  0.500  0.000  0.000  1.0
  Sc  Sc6  1  0.500  0.000  0.500  1.0
  Sc  Sc7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.899  0.534  0.250  1.0
  O  O9  1  0.399  0.966  0.750  1.0
  O  O10  1  0.601  0.034  0.250  1.0
  O  O11  1  0.101  0.466  0.750  1.0
  O  O12  1  0.704  0.296  0.946  1.0
  O  O13  1  0.204  0.204  0.054  1.0
  O  O14  1  0.796  0.796  0.554  1.0
  O  O15  1  0.296  0.704  0.446  1.0
  O  O16  1  0.296  0.704  0.054  1.0
  O  O17  1  0.796  0.796  0.946  1.0
  O  O18  1  0.204  0.204  0.446  1.0
  O  O19  1  0.704  0.296  0.554  1.0
[/CIF]
.