The material described by HoFeO3 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(2) and six equivalent O(1) atoms. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ho(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Ho(1) and two equivalent Fe(1) atoms to form distorted corner-sharing OHo2Fe2 trigonal pyramids. is represented by the CIF file [CIF]
data_HoFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.256
_cell_length_b   5.601
_cell_length_c   7.607
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.937
_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  0.020  0.928  0.750  1.0
  Ho  Ho1  1  0.520  0.572  0.250  1.0
  Ho  Ho2  1  0.480  0.428  0.750  1.0
  Ho  Ho3  1  0.980  0.072  0.250  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.500  0.000  0.000  1.0
  Fe  Fe7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.689  0.308  0.440  1.0
  O  O9  1  0.189  0.192  0.560  1.0
  O  O10  1  0.811  0.808  0.060  1.0
  O  O11  1  0.311  0.692  0.940  1.0
  O  O12  1  0.311  0.692  0.560  1.0
  O  O13  1  0.811  0.808  0.440  1.0
  O  O14  1  0.189  0.192  0.940  1.0
  O  O15  1  0.689  0.308  0.060  1.0
  O  O16  1  0.119  0.456  0.250  1.0
  O  O17  1  0.619  0.044  0.750  1.0
  O  O18  1  0.381  0.956  0.250  1.0
  O  O19  1  0.881  0.544  0.750  1.0
[/CIF]
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The material described by HoFeO3 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(2) and six equivalent O(1) atoms. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ho(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Ho(1) and two equivalent Fe(1) atoms to form distorted corner-sharing OHo2Fe2 trigonal pyramids. is represented by the CIF file [CIF]
data_HoFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.256
_cell_length_b   5.601
_cell_length_c   7.607
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   223.937
_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  0.020  0.928  0.750  1.0
  Ho  Ho1  1  0.520  0.572  0.250  1.0
  Ho  Ho2  1  0.480  0.428  0.750  1.0
  Ho  Ho3  1  0.980  0.072  0.250  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.500  0.000  0.000  1.0
  Fe  Fe7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.689  0.308  0.440  1.0
  O  O9  1  0.189  0.192  0.560  1.0
  O  O10  1  0.811  0.808  0.060  1.0
  O  O11  1  0.311  0.692  0.940  1.0
  O  O12  1  0.311  0.692  0.560  1.0
  O  O13  1  0.811  0.808  0.440  1.0
  O  O14  1  0.189  0.192  0.940  1.0
  O  O15  1  0.689  0.308  0.060  1.0
  O  O16  1  0.119  0.456  0.250  1.0
  O  O17  1  0.619  0.044  0.750  1.0
  O  O18  1  0.381  0.956  0.250  1.0
  O  O19  1  0.881  0.544  0.750  1.0
[/CIF]
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