The structure described by LaHoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ho(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles range from 39-43°. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ho(1) and two equivalent La(1) atoms to form distorted corner-sharing OLa2Ho2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ho(1) and three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaHoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.884
_cell_length_b   6.076
_cell_length_c   8.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.552
_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  0.982  0.047  0.250  1.0
  La  La1  1  0.482  0.453  0.750  1.0
  La  La2  1  0.518  0.547  0.250  1.0
  La  La3  1  0.018  0.953  0.750  1.0
  Ho  Ho4  1  0.500  0.000  0.000  1.0
  Ho  Ho5  1  0.500  0.000  0.500  1.0
  Ho  Ho6  1  0.000  0.500  0.000  1.0
  Ho  Ho7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.631  0.057  0.750  1.0
  O  O9  1  0.197  0.198  0.572  1.0
  O  O10  1  0.197  0.198  0.928  1.0
  O  O11  1  0.697  0.302  0.428  1.0
  O  O12  1  0.697  0.302  0.072  1.0
  O  O13  1  0.131  0.443  0.250  1.0
  O  O14  1  0.869  0.557  0.750  1.0
  O  O15  1  0.303  0.698  0.928  1.0
  O  O16  1  0.303  0.698  0.572  1.0
  O  O17  1  0.803  0.802  0.072  1.0
  O  O18  1  0.803  0.802  0.428  1.0
  O  O19  1  0.369  0.943  0.250  1.0
[/CIF]
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The structure described by LaHoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ho(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles range from 39-43°. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ho(1) and two equivalent La(1) atoms to form distorted corner-sharing OLa2Ho2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ho(1) and three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaHoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.884
_cell_length_b   6.076
_cell_length_c   8.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.552
_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  0.982  0.047  0.250  1.0
  La  La1  1  0.482  0.453  0.750  1.0
  La  La2  1  0.518  0.547  0.250  1.0
  La  La3  1  0.018  0.953  0.750  1.0
  Ho  Ho4  1  0.500  0.000  0.000  1.0
  Ho  Ho5  1  0.500  0.000  0.500  1.0
  Ho  Ho6  1  0.000  0.500  0.000  1.0
  Ho  Ho7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.631  0.057  0.750  1.0
  O  O9  1  0.197  0.198  0.572  1.0
  O  O10  1  0.197  0.198  0.928  1.0
  O  O11  1  0.697  0.302  0.428  1.0
  O  O12  1  0.697  0.302  0.072  1.0
  O  O13  1  0.131  0.443  0.250  1.0
  O  O14  1  0.869  0.557  0.750  1.0
  O  O15  1  0.303  0.698  0.928  1.0
  O  O16  1  0.303  0.698  0.572  1.0
  O  O17  1  0.803  0.802  0.072  1.0
  O  O18  1  0.803  0.802  0.428  1.0
  O  O19  1  0.369  0.943  0.250  1.0
[/CIF]
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