The material structure described by Ba2ReO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) 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 octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Re(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Re(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Re(1) atom. is represented by the CIF card [CIF]
data_Ba2ReO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   7.375
_cell_length_c   11.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.810
_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
  Ba  Ba0  1  0.750  0.477  0.285  1.0
  Ba  Ba1  1  0.250  0.523  0.715  1.0
  Ba  Ba2  1  0.750  0.977  0.215  1.0
  Ba  Ba3  1  0.250  0.023  0.785  1.0
  Ba  Ba4  1  0.750  0.165  0.581  1.0
  Ba  Ba5  1  0.250  0.835  0.419  1.0
  Ba  Ba6  1  0.750  0.665  0.919  1.0
  Ba  Ba7  1  0.250  0.335  0.081  1.0
  Re  Re8  1  0.750  0.169  0.937  1.0
  Re  Re9  1  0.250  0.831  0.063  1.0
  Re  Re10  1  0.750  0.669  0.563  1.0
  Re  Re11  1  0.250  0.331  0.437  1.0
  O  O12  1  0.487  0.176  0.384  1.0
  O  O13  1  0.987  0.824  0.616  1.0
  O  O14  1  0.013  0.676  0.116  1.0
  O  O15  1  0.513  0.324  0.884  1.0
  O  O16  1  0.513  0.824  0.616  1.0
  O  O17  1  0.013  0.176  0.384  1.0
  O  O18  1  0.987  0.324  0.884  1.0
  O  O19  1  0.487  0.676  0.116  1.0
  O  O20  1  0.500  0.500  0.500  1.0
  O  O21  1  0.000  0.500  0.500  1.0
  O  O22  1  0.000  0.000  0.000  1.0
  O  O23  1  0.500  0.000  0.000  1.0
  O  O24  1  0.750  0.277  0.089  1.0
  O  O25  1  0.250  0.723  0.911  1.0
  O  O26  1  0.750  0.777  0.411  1.0
  O  O27  1  0.250  0.223  0.589  1.0
  O  O28  1  0.750  0.019  0.808  1.0
  O  O29  1  0.250  0.981  0.192  1.0
  O  O30  1  0.750  0.519  0.692  1.0
  O  O31  1  0.250  0.481  0.308  1.0
[/CIF]
.
The material structure described by Ba2ReO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) 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 octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Re(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Re(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Re(1) atom. is represented by the CIF card [CIF]
data_Ba2ReO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   7.375
_cell_length_c   11.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.810
_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
  Ba  Ba0  1  0.750  0.477  0.285  1.0
  Ba  Ba1  1  0.250  0.523  0.715  1.0
  Ba  Ba2  1  0.750  0.977  0.215  1.0
  Ba  Ba3  1  0.250  0.023  0.785  1.0
  Ba  Ba4  1  0.750  0.165  0.581  1.0
  Ba  Ba5  1  0.250  0.835  0.419  1.0
  Ba  Ba6  1  0.750  0.665  0.919  1.0
  Ba  Ba7  1  0.250  0.335  0.081  1.0
  Re  Re8  1  0.750  0.169  0.937  1.0
  Re  Re9  1  0.250  0.831  0.063  1.0
  Re  Re10  1  0.750  0.669  0.563  1.0
  Re  Re11  1  0.250  0.331  0.437  1.0
  O  O12  1  0.487  0.176  0.384  1.0
  O  O13  1  0.987  0.824  0.616  1.0
  O  O14  1  0.013  0.676  0.116  1.0
  O  O15  1  0.513  0.324  0.884  1.0
  O  O16  1  0.513  0.824  0.616  1.0
  O  O17  1  0.013  0.176  0.384  1.0
  O  O18  1  0.987  0.324  0.884  1.0
  O  O19  1  0.487  0.676  0.116  1.0
  O  O20  1  0.500  0.500  0.500  1.0
  O  O21  1  0.000  0.500  0.500  1.0
  O  O22  1  0.000  0.000  0.000  1.0
  O  O23  1  0.500  0.000  0.000  1.0
  O  O24  1  0.750  0.277  0.089  1.0
  O  O25  1  0.250  0.723  0.911  1.0
  O  O26  1  0.750  0.777  0.411  1.0
  O  O27  1  0.250  0.223  0.589  1.0
  O  O28  1  0.750  0.019  0.808  1.0
  O  O29  1  0.250  0.981  0.192  1.0
  O  O30  1  0.750  0.519  0.692  1.0
  O  O31  1  0.250  0.481  0.308  1.0
[/CIF]
.