The compound described by Ho3ReO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one O(3), two equivalent O(2), and four equivalent O(1) atoms to form distorted HoO7 pentagonal bipyramids that share corners with two equivalent Re(1)O6 octahedra, corners with three equivalent Ho(1)O7 pentagonal bipyramids, edges with two equivalent Re(1)O6 octahedra, and edges with two equivalent Ho(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. In the second Ho site, Ho(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Re(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form ReO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with four equivalent Ho(1)O7 pentagonal bipyramids, and edges with four equivalent Ho(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ho(2), two equivalent Ho(1), and one Re(1) atom to form distorted OHo3Re trigonal pyramids that share corners with four equivalent O(2)Ho4 tetrahedra, corners with eight equivalent O(1)Ho3Re trigonal pyramids, edges with two equivalent O(2)Ho4 tetrahedra, and edges with two equivalent O(1)Ho3Re trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ho(1) and two equivalent Ho(2) atoms to form OHo4 tetrahedra that share corners with six equivalent O(2)Ho4 tetrahedra, corners with eight equivalent O(1)Ho3Re trigonal pyramids,  an edgeedge with one O(2)Ho4 tetrahedra, and edges with four equivalent O(1)Ho3Re trigonal pyramids. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ho(1) and two equivalent Re(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho3ReO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   6.423
_cell_length_c   7.390
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.230
_symmetry_Int_Tables_number   1
_cell_volume   286.064
_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  0.562  0.022  0.250  1.0
  Ho  Ho1  1  0.978  0.438  0.750  1.0
  Ho  Ho2  1  0.500  0.500  0.000  1.0
  Ho  Ho3  1  0.500  0.500  0.500  1.0
  Ho  Ho4  1  0.022  0.562  0.250  1.0
  Ho  Ho5  1  0.438  0.978  0.750  1.0
  Re  Re6  1  0.000  0.000  0.000  1.0
  Re  Re7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.933  0.676  0.536  1.0
  O  O9  1  0.324  0.067  0.464  1.0
  O  O10  1  0.324  0.067  0.036  1.0
  O  O11  1  0.933  0.676  0.964  1.0
  O  O12  1  0.658  0.392  0.250  1.0
  O  O13  1  0.608  0.342  0.750  1.0
  O  O14  1  0.930  0.930  0.250  1.0
  O  O15  1  0.070  0.070  0.750  1.0
  O  O16  1  0.342  0.608  0.750  1.0
  O  O17  1  0.392  0.658  0.250  1.0
  O  O18  1  0.067  0.324  0.036  1.0
  O  O19  1  0.067  0.324  0.464  1.0
  O  O20  1  0.676  0.933  0.536  1.0
  O  O21  1  0.676  0.933  0.964  1.0
[/CIF]
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The compound described by Ho3ReO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one O(3), two equivalent O(2), and four equivalent O(1) atoms to form distorted HoO7 pentagonal bipyramids that share corners with two equivalent Re(1)O6 octahedra, corners with three equivalent Ho(1)O7 pentagonal bipyramids, edges with two equivalent Re(1)O6 octahedra, and edges with two equivalent Ho(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. In the second Ho site, Ho(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Re(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form ReO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with four equivalent Ho(1)O7 pentagonal bipyramids, and edges with four equivalent Ho(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ho(2), two equivalent Ho(1), and one Re(1) atom to form distorted OHo3Re trigonal pyramids that share corners with four equivalent O(2)Ho4 tetrahedra, corners with eight equivalent O(1)Ho3Re trigonal pyramids, edges with two equivalent O(2)Ho4 tetrahedra, and edges with two equivalent O(1)Ho3Re trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ho(1) and two equivalent Ho(2) atoms to form OHo4 tetrahedra that share corners with six equivalent O(2)Ho4 tetrahedra, corners with eight equivalent O(1)Ho3Re trigonal pyramids,  an edgeedge with one O(2)Ho4 tetrahedra, and edges with four equivalent O(1)Ho3Re trigonal pyramids. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ho(1) and two equivalent Re(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho3ReO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.423
_cell_length_b   6.423
_cell_length_c   7.390
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.230
_symmetry_Int_Tables_number   1
_cell_volume   286.064
_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  0.562  0.022  0.250  1.0
  Ho  Ho1  1  0.978  0.438  0.750  1.0
  Ho  Ho2  1  0.500  0.500  0.000  1.0
  Ho  Ho3  1  0.500  0.500  0.500  1.0
  Ho  Ho4  1  0.022  0.562  0.250  1.0
  Ho  Ho5  1  0.438  0.978  0.750  1.0
  Re  Re6  1  0.000  0.000  0.000  1.0
  Re  Re7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.933  0.676  0.536  1.0
  O  O9  1  0.324  0.067  0.464  1.0
  O  O10  1  0.324  0.067  0.036  1.0
  O  O11  1  0.933  0.676  0.964  1.0
  O  O12  1  0.658  0.392  0.250  1.0
  O  O13  1  0.608  0.342  0.750  1.0
  O  O14  1  0.930  0.930  0.250  1.0
  O  O15  1  0.070  0.070  0.750  1.0
  O  O16  1  0.342  0.608  0.750  1.0
  O  O17  1  0.392  0.658  0.250  1.0
  O  O18  1  0.067  0.324  0.036  1.0
  O  O19  1  0.067  0.324  0.464  1.0
  O  O20  1  0.676  0.933  0.536  1.0
  O  O21  1  0.676  0.933  0.964  1.0
[/CIF]
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