The material structure described by Ho2CuO4 crystallizes in the orthorhombic Cmce space group. Ho(1) is bonded in a 6-coordinate geometry to two 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 in a 4-coordinate geometry to two equivalent Ho(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Ho(1) atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. is represented by the CIF file [CIF]
data_Ho2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.520
_cell_length_b   6.520
_cell_length_c   5.479
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.267
_symmetry_Int_Tables_number   1
_cell_volume   177.730
_cell_formula_units_Z   2
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  0.655  0.345  0.000  1.0
  Ho  Ho1  1  0.345  0.655  0.000  1.0
  Ho  Ho2  1  0.845  0.155  0.500  1.0
  Ho  Ho3  1  0.155  0.845  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.695  0.695  0.195  1.0
  O  O7  1  0.511  0.011  0.250  1.0
  O  O8  1  0.011  0.511  0.250  1.0
  O  O9  1  0.195  0.195  0.305  1.0
  O  O10  1  0.805  0.805  0.695  1.0
  O  O11  1  0.989  0.489  0.750  1.0
  O  O12  1  0.489  0.989  0.750  1.0
  O  O13  1  0.305  0.305  0.805  1.0
[/CIF]
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The material structure described by Ho2CuO4 crystallizes in the orthorhombic Cmce space group. Ho(1) is bonded in a 6-coordinate geometry to two 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 in a 4-coordinate geometry to two equivalent Ho(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Ho(1) atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. is represented by the CIF file [CIF]
data_Ho2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.520
_cell_length_b   6.520
_cell_length_c   5.479
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.267
_symmetry_Int_Tables_number   1
_cell_volume   177.730
_cell_formula_units_Z   2
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  0.655  0.345  0.000  1.0
  Ho  Ho1  1  0.345  0.655  0.000  1.0
  Ho  Ho2  1  0.845  0.155  0.500  1.0
  Ho  Ho3  1  0.155  0.845  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.695  0.695  0.195  1.0
  O  O7  1  0.511  0.011  0.250  1.0
  O  O8  1  0.011  0.511  0.250  1.0
  O  O9  1  0.195  0.195  0.305  1.0
  O  O10  1  0.805  0.805  0.695  1.0
  O  O11  1  0.989  0.489  0.750  1.0
  O  O12  1  0.489  0.989  0.750  1.0
  O  O13  1  0.305  0.305  0.805  1.0
[/CIF]
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