The material described by CeReO4 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), three equivalent O(3), and three equivalent O(4) atoms. Re(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 31-37°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ce(1) and two equivalent Re(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1) and two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ce(1) and one Re(1) atom. In the fourth O site, O(4) is bonded to three equivalent Ce(1) and one Re(1) atom to form a mixture of distorted corner and edge-sharing OCe3Re tetrahedra. is represented by the CIF file [CIF]
data_CeReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   7.593
_cell_length_c   7.682
_cell_angle_alpha   80.135
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.417
_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
  Ce  Ce0  1  0.280  0.397  0.342  1.0
  Ce  Ce1  1  0.220  0.897  0.342  1.0
  Ce  Ce2  1  0.780  0.103  0.658  1.0
  Ce  Ce3  1  0.720  0.603  0.658  1.0
  Re  Re4  1  0.780  0.199  0.165  1.0
  Re  Re5  1  0.720  0.699  0.165  1.0
  Re  Re6  1  0.280  0.301  0.835  1.0
  Re  Re7  1  0.220  0.801  0.835  1.0
  O  O8  1  0.084  0.293  0.050  1.0
  O  O9  1  0.416  0.793  0.050  1.0
  O  O10  1  0.654  0.442  0.172  1.0
  O  O11  1  0.846  0.942  0.172  1.0
  O  O12  1  0.492  0.123  0.324  1.0
  O  O13  1  0.987  0.170  0.393  1.0
  O  O14  1  0.008  0.623  0.324  1.0
  O  O15  1  0.513  0.670  0.393  1.0
  O  O16  1  0.487  0.330  0.607  1.0
  O  O17  1  0.992  0.377  0.676  1.0
  O  O18  1  0.013  0.830  0.607  1.0
  O  O19  1  0.508  0.877  0.676  1.0
  O  O20  1  0.154  0.058  0.828  1.0
  O  O21  1  0.346  0.558  0.828  1.0
  O  O22  1  0.584  0.207  0.950  1.0
  O  O23  1  0.916  0.707  0.950  1.0
[/CIF]
.
The material described by CeReO4 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), three equivalent O(3), and three equivalent O(4) atoms. Re(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 31-37°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ce(1) and two equivalent Re(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1) and two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ce(1) and one Re(1) atom. In the fourth O site, O(4) is bonded to three equivalent Ce(1) and one Re(1) atom to form a mixture of distorted corner and edge-sharing OCe3Re tetrahedra. is represented by the CIF file [CIF]
data_CeReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   7.593
_cell_length_c   7.682
_cell_angle_alpha   80.135
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.417
_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
  Ce  Ce0  1  0.280  0.397  0.342  1.0
  Ce  Ce1  1  0.220  0.897  0.342  1.0
  Ce  Ce2  1  0.780  0.103  0.658  1.0
  Ce  Ce3  1  0.720  0.603  0.658  1.0
  Re  Re4  1  0.780  0.199  0.165  1.0
  Re  Re5  1  0.720  0.699  0.165  1.0
  Re  Re6  1  0.280  0.301  0.835  1.0
  Re  Re7  1  0.220  0.801  0.835  1.0
  O  O8  1  0.084  0.293  0.050  1.0
  O  O9  1  0.416  0.793  0.050  1.0
  O  O10  1  0.654  0.442  0.172  1.0
  O  O11  1  0.846  0.942  0.172  1.0
  O  O12  1  0.492  0.123  0.324  1.0
  O  O13  1  0.987  0.170  0.393  1.0
  O  O14  1  0.008  0.623  0.324  1.0
  O  O15  1  0.513  0.670  0.393  1.0
  O  O16  1  0.487  0.330  0.607  1.0
  O  O17  1  0.992  0.377  0.676  1.0
  O  O18  1  0.013  0.830  0.607  1.0
  O  O19  1  0.508  0.877  0.676  1.0
  O  O20  1  0.154  0.058  0.828  1.0
  O  O21  1  0.346  0.558  0.828  1.0
  O  O22  1  0.584  0.207  0.950  1.0
  O  O23  1  0.916  0.707  0.950  1.0
[/CIF]
.