The material described by Ho2Nd2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Ho site, Ho(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Nd(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ho(1) and two equivalent Nd(1) atoms to form ONd2Ho2 tetrahedra that share corners with two equivalent O(2)Nd2Ho4 octahedra, corners with ten equivalent O(1)Nd2Ho2 tetrahedra, and edges with five equivalent O(1)Nd2Ho2 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second O site, O(2) is bonded to four equivalent Ho(2) and two equivalent Nd(1) atoms to form ONd2Ho4 octahedra that share corners with four equivalent O(2)Nd2Ho4 octahedra, corners with eight equivalent O(1)Nd2Ho2 tetrahedra, and edges with four equivalent O(2)Nd2Ho4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Nd2Ho2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.856
_cell_length_b   3.856
_cell_length_c   11.068
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   164.573
_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
  Nd  Nd0  1  0.500  0.500  0.225  1.0
  Nd  Nd1  1  0.500  0.500  0.775  1.0
  Ho  Ho2  1  0.000  0.000  0.000  1.0
  Ho  Ho3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.500  0.000  0.125  1.0
  O  O5  1  0.500  0.000  0.875  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.125  1.0
  O  O8  1  0.000  0.500  0.875  1.0
[/CIF]
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The material described by Ho2Nd2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Ho site, Ho(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Nd(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ho(1) and two equivalent Nd(1) atoms to form ONd2Ho2 tetrahedra that share corners with two equivalent O(2)Nd2Ho4 octahedra, corners with ten equivalent O(1)Nd2Ho2 tetrahedra, and edges with five equivalent O(1)Nd2Ho2 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second O site, O(2) is bonded to four equivalent Ho(2) and two equivalent Nd(1) atoms to form ONd2Ho4 octahedra that share corners with four equivalent O(2)Nd2Ho4 octahedra, corners with eight equivalent O(1)Nd2Ho2 tetrahedra, and edges with four equivalent O(2)Nd2Ho4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Nd2Ho2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.856
_cell_length_b   3.856
_cell_length_c   11.068
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   164.573
_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
  Nd  Nd0  1  0.500  0.500  0.225  1.0
  Nd  Nd1  1  0.500  0.500  0.775  1.0
  Ho  Ho2  1  0.000  0.000  0.000  1.0
  Ho  Ho3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.500  0.000  0.125  1.0
  O  O5  1  0.500  0.000  0.875  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.125  1.0
  O  O8  1  0.000  0.500  0.875  1.0
[/CIF]
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