The material described by Ho2CuO4 crystallizes in the tetragonal I4/mmm space group. Ho(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ho(1) and two equivalent Cu(1) atoms to form distorted OHo4Cu2 octahedra that share corners with two equivalent O(1)Ho4Cu2 octahedra, corners with twelve equivalent O(2)Ho4 tetrahedra, edges with two equivalent O(1)Ho4Cu2 octahedra, edges with two equivalent O(2)Ho4 tetrahedra, and faces with four equivalent O(1)Ho4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Ho(1) atoms to form OHo4 tetrahedra that share corners with twelve equivalent O(1)Ho4Cu2 octahedra, corners with four equivalent O(2)Ho4 tetrahedra, edges with two equivalent O(1)Ho4Cu2 octahedra, and edges with four equivalent O(2)Ho4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-70°. is represented by the CIF file [CIF]
data_Ho2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.447
_cell_length_b   6.447
_cell_length_c   6.447
_cell_angle_alpha   145.135
_cell_angle_beta   145.135
_cell_angle_gamma   50.133
_symmetry_Int_Tables_number   1
_cell_volume   87.125
_cell_formula_units_Z   1
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  0.348  0.348  0.000  1.0
  Ho  Ho1  1  0.652  0.652  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.750  0.250  0.500  1.0
  O  O5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.250  0.750  0.500  1.0
[/CIF]
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The material described by Ho2CuO4 crystallizes in the tetragonal I4/mmm space group. Ho(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ho(1) and two equivalent Cu(1) atoms to form distorted OHo4Cu2 octahedra that share corners with two equivalent O(1)Ho4Cu2 octahedra, corners with twelve equivalent O(2)Ho4 tetrahedra, edges with two equivalent O(1)Ho4Cu2 octahedra, edges with two equivalent O(2)Ho4 tetrahedra, and faces with four equivalent O(1)Ho4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Ho(1) atoms to form OHo4 tetrahedra that share corners with twelve equivalent O(1)Ho4Cu2 octahedra, corners with four equivalent O(2)Ho4 tetrahedra, edges with two equivalent O(1)Ho4Cu2 octahedra, and edges with four equivalent O(2)Ho4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-70°. is represented by the CIF file [CIF]
data_Ho2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.447
_cell_length_b   6.447
_cell_length_c   6.447
_cell_angle_alpha   145.135
_cell_angle_beta   145.135
_cell_angle_gamma   50.133
_symmetry_Int_Tables_number   1
_cell_volume   87.125
_cell_formula_units_Z   1
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  0.348  0.348  0.000  1.0
  Ho  Ho1  1  0.652  0.652  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.750  0.250  0.500  1.0
  O  O5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.250  0.750  0.500  1.0
[/CIF]
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