The compound described by LaHoO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. In the second Ho site, Ho(2) 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 are 37°. La(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ho(1), one Ho(2), and two equivalent La(1) atoms to form distorted corner-sharing OLa2Ho2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ho(2) and two equivalent La(1) atoms. In the third O site, O(3) is bonded in a 3-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   6.086
_cell_length_b   6.033
_cell_length_c   8.511
_cell_angle_alpha   89.857
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.483
_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  0.992  0.024  0.751  1.0
  La  La1  1  0.492  0.476  0.249  1.0
  La  La2  1  0.508  0.524  0.751  1.0
  La  La3  1  0.008  0.976  0.249  1.0
  Ho  Ho4  1  0.500  0.000  0.500  1.0
  Ho  Ho5  1  0.500  0.000  0.000  1.0
  Ho  Ho6  1  0.000  0.500  0.500  1.0
  Ho  Ho7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.389  0.040  0.252  1.0
  O  O9  1  0.176  0.176  0.961  1.0
  O  O10  1  0.813  0.187  0.435  1.0
  O  O11  1  0.313  0.313  0.565  1.0
  O  O12  1  0.676  0.324  0.039  1.0
  O  O13  1  0.889  0.460  0.748  1.0
  O  O14  1  0.111  0.540  0.252  1.0
  O  O15  1  0.324  0.676  0.961  1.0
  O  O16  1  0.687  0.687  0.435  1.0
  O  O17  1  0.187  0.813  0.565  1.0
  O  O18  1  0.824  0.824  0.039  1.0
  O  O19  1  0.611  0.960  0.748  1.0
[/CIF]
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The compound described by LaHoO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. In the second Ho site, Ho(2) 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 are 37°. La(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ho(1), one Ho(2), and two equivalent La(1) atoms to form distorted corner-sharing OLa2Ho2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ho(2) and two equivalent La(1) atoms. In the third O site, O(3) is bonded in a 3-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   6.086
_cell_length_b   6.033
_cell_length_c   8.511
_cell_angle_alpha   89.857
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.483
_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  0.992  0.024  0.751  1.0
  La  La1  1  0.492  0.476  0.249  1.0
  La  La2  1  0.508  0.524  0.751  1.0
  La  La3  1  0.008  0.976  0.249  1.0
  Ho  Ho4  1  0.500  0.000  0.500  1.0
  Ho  Ho5  1  0.500  0.000  0.000  1.0
  Ho  Ho6  1  0.000  0.500  0.500  1.0
  Ho  Ho7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.389  0.040  0.252  1.0
  O  O9  1  0.176  0.176  0.961  1.0
  O  O10  1  0.813  0.187  0.435  1.0
  O  O11  1  0.313  0.313  0.565  1.0
  O  O12  1  0.676  0.324  0.039  1.0
  O  O13  1  0.889  0.460  0.748  1.0
  O  O14  1  0.111  0.540  0.252  1.0
  O  O15  1  0.324  0.676  0.961  1.0
  O  O16  1  0.687  0.687  0.435  1.0
  O  O17  1  0.187  0.813  0.565  1.0
  O  O18  1  0.824  0.824  0.039  1.0
  O  O19  1  0.611  0.960  0.748  1.0
[/CIF]
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