The crystal structure described by ScCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sc(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sc(1) and two equivalent Cr(1) atoms to form corner-sharing OSc2Cr2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sc(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_ScCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.089
_cell_length_b   5.408
_cell_length_c   7.554
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.889
_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
  Sc  Sc0  1  0.974  0.069  0.250  1.0
  Sc  Sc1  1  0.474  0.431  0.750  1.0
  Sc  Sc2  1  0.526  0.569  0.250  1.0
  Sc  Sc3  1  0.026  0.931  0.750  1.0
  Cr  Cr4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.000  1.0
  Cr  Cr7  1  1.000  0.500  0.500  1.0
  O  O8  1  0.142  0.436  0.250  1.0
  O  O9  1  0.642  0.064  0.750  1.0
  O  O10  1  0.358  0.936  0.250  1.0
  O  O11  1  0.858  0.564  0.750  1.0
  O  O12  1  0.686  0.309  0.427  1.0
  O  O13  1  0.186  0.191  0.573  1.0
  O  O14  1  0.814  0.809  0.073  1.0
  O  O15  1  0.314  0.691  0.927  1.0
  O  O16  1  0.314  0.691  0.573  1.0
  O  O17  1  0.814  0.809  0.427  1.0
  O  O18  1  0.186  0.191  0.927  1.0
  O  O19  1  0.686  0.309  0.073  1.0
[/CIF]
.
The crystal structure described by ScCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sc(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sc(1) and two equivalent Cr(1) atoms to form corner-sharing OSc2Cr2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sc(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_ScCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.089
_cell_length_b   5.408
_cell_length_c   7.554
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   207.889
_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
  Sc  Sc0  1  0.974  0.069  0.250  1.0
  Sc  Sc1  1  0.474  0.431  0.750  1.0
  Sc  Sc2  1  0.526  0.569  0.250  1.0
  Sc  Sc3  1  0.026  0.931  0.750  1.0
  Cr  Cr4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.000  1.0
  Cr  Cr7  1  1.000  0.500  0.500  1.0
  O  O8  1  0.142  0.436  0.250  1.0
  O  O9  1  0.642  0.064  0.750  1.0
  O  O10  1  0.358  0.936  0.250  1.0
  O  O11  1  0.858  0.564  0.750  1.0
  O  O12  1  0.686  0.309  0.427  1.0
  O  O13  1  0.186  0.191  0.573  1.0
  O  O14  1  0.814  0.809  0.073  1.0
  O  O15  1  0.314  0.691  0.927  1.0
  O  O16  1  0.314  0.691  0.573  1.0
  O  O17  1  0.814  0.809  0.427  1.0
  O  O18  1  0.186  0.191  0.927  1.0
  O  O19  1  0.686  0.309  0.073  1.0
[/CIF]
.