The structure described by YCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Y(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 34-35°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OY2Cr2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_YCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.245
_cell_length_b   5.540
_cell_length_c   7.550
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.380
_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
  Y  Y0  1  0.018  0.932  0.750  1.0
  Y  Y1  1  0.518  0.568  0.250  1.0
  Y  Y2  1  0.482  0.432  0.750  1.0
  Y  Y3  1  0.982  0.068  0.250  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Cr  Cr5  1  0.000  0.500  0.000  1.0
  Cr  Cr6  1  1.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.000  1.000  1.0
  O  O8  1  0.108  0.464  0.250  1.0
  O  O9  1  0.608  0.036  0.750  1.0
  O  O10  1  0.392  0.964  0.250  1.0
  O  O11  1  0.892  0.536  0.750  1.0
  O  O12  1  0.693  0.302  0.445  1.0
  O  O13  1  0.193  0.198  0.555  1.0
  O  O14  1  0.807  0.802  0.055  1.0
  O  O15  1  0.307  0.698  0.945  1.0
  O  O16  1  0.307  0.698  0.555  1.0
  O  O17  1  0.807  0.802  0.445  1.0
  O  O18  1  0.193  0.198  0.945  1.0
  O  O19  1  0.693  0.302  0.055  1.0
[/CIF]
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The structure described by YCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Y(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 34-35°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OY2Cr2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_YCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.245
_cell_length_b   5.540
_cell_length_c   7.550
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.380
_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
  Y  Y0  1  0.018  0.932  0.750  1.0
  Y  Y1  1  0.518  0.568  0.250  1.0
  Y  Y2  1  0.482  0.432  0.750  1.0
  Y  Y3  1  0.982  0.068  0.250  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Cr  Cr5  1  0.000  0.500  0.000  1.0
  Cr  Cr6  1  1.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.000  1.000  1.0
  O  O8  1  0.108  0.464  0.250  1.0
  O  O9  1  0.608  0.036  0.750  1.0
  O  O10  1  0.392  0.964  0.250  1.0
  O  O11  1  0.892  0.536  0.750  1.0
  O  O12  1  0.693  0.302  0.445  1.0
  O  O13  1  0.193  0.198  0.555  1.0
  O  O14  1  0.807  0.802  0.055  1.0
  O  O15  1  0.307  0.698  0.945  1.0
  O  O16  1  0.307  0.698  0.555  1.0
  O  O17  1  0.807  0.802  0.445  1.0
  O  O18  1  0.193  0.198  0.945  1.0
  O  O19  1  0.693  0.302  0.055  1.0
[/CIF]
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