The material described by HoCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ho(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 35-37°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ho(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OHo2Cr2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ho(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.211
_cell_length_b   5.529
_cell_length_c   7.527
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.870
_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
  Ho  Ho0  1  0.520  0.570  0.250  1.0
  Ho  Ho1  1  0.980  0.070  0.250  1.0
  Ho  Ho2  1  0.480  0.430  0.750  1.0
  Ho  Ho3  1  0.020  0.930  0.750  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.388  0.961  0.250  1.0
  O  O9  1  0.112  0.461  0.250  1.0
  O  O10  1  0.612  0.039  0.750  1.0
  O  O11  1  0.888  0.539  0.750  1.0
  O  O12  1  0.809  0.804  0.057  1.0
  O  O13  1  0.691  0.304  0.443  1.0
  O  O14  1  0.191  0.196  0.557  1.0
  O  O15  1  0.309  0.696  0.943  1.0
  O  O16  1  0.191  0.196  0.943  1.0
  O  O17  1  0.309  0.696  0.557  1.0
  O  O18  1  0.809  0.804  0.443  1.0
  O  O19  1  0.691  0.304  0.057  1.0
[/CIF]
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The material described by HoCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ho(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 35-37°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ho(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OHo2Cr2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ho(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.211
_cell_length_b   5.529
_cell_length_c   7.527
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.870
_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
  Ho  Ho0  1  0.520  0.570  0.250  1.0
  Ho  Ho1  1  0.980  0.070  0.250  1.0
  Ho  Ho2  1  0.480  0.430  0.750  1.0
  Ho  Ho3  1  0.020  0.930  0.750  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.388  0.961  0.250  1.0
  O  O9  1  0.112  0.461  0.250  1.0
  O  O10  1  0.612  0.039  0.750  1.0
  O  O11  1  0.888  0.539  0.750  1.0
  O  O12  1  0.809  0.804  0.057  1.0
  O  O13  1  0.691  0.304  0.443  1.0
  O  O14  1  0.191  0.196  0.557  1.0
  O  O15  1  0.309  0.696  0.943  1.0
  O  O16  1  0.191  0.196  0.943  1.0
  O  O17  1  0.309  0.696  0.557  1.0
  O  O18  1  0.809  0.804  0.443  1.0
  O  O19  1  0.691  0.304  0.057  1.0
[/CIF]
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