The compound described by Y2ReO5 crystallizes in the tetragonal P4/n space group. Y(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. In the second Re site, Re(2) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Y(1) and one Re(1) atom to form distorted OY3Re tetrahedra that share  a cornercorner with one O(3)Y4 tetrahedra, corners with three equivalent O(1)Y3Re tetrahedra, corners with three equivalent O(4)Y4 tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, and edges with three equivalent O(1)Y3Re tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Y(1) and one Re(2) atom. In the third O site, O(3) is bonded to four equivalent Y(1) atoms to form OY4 tetrahedra that share corners with four equivalent O(1)Y3Re tetrahedra, edges with two equivalent O(4)Y4 tetrahedra, and edges with four equivalent O(1)Y3Re tetrahedra. In the fourth O site, O(4) is bonded to four equivalent Y(1) atoms to form OY4 tetrahedra that share corners with twelve equivalent O(1)Y3Re tetrahedra and edges with two equivalent O(3)Y4 tetrahedra. is represented by the CIF file [CIF]
data_Y2ReO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.498
_cell_length_b   8.498
_cell_length_c   5.629
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   406.572
_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
  Y  Y0  1  0.360  0.351  0.250  1.0
  Y  Y1  1  0.649  0.360  0.750  1.0
  Y  Y2  1  0.351  0.640  0.750  1.0
  Y  Y3  1  0.640  0.649  0.250  1.0
  Y  Y4  1  0.860  0.851  0.750  1.0
  Y  Y5  1  0.149  0.860  0.250  1.0
  Y  Y6  1  0.851  0.140  0.250  1.0
  Y  Y7  1  0.140  0.149  0.750  1.0
  Re  Re8  1  0.000  0.500  0.544  1.0
  Re  Re9  1  0.000  0.500  0.147  1.0
  Re  Re10  1  0.500  0.000  0.456  1.0
  Re  Re11  1  0.500  0.000  0.853  1.0
  O  O12  1  0.906  0.297  0.604  1.0
  O  O13  1  0.096  0.298  0.097  1.0
  O  O14  1  0.203  0.406  0.604  1.0
  O  O15  1  0.798  0.404  0.097  1.0
  O  O16  1  0.500  0.500  0.500  1.0
  O  O17  1  0.500  0.500  0.000  1.0
  O  O18  1  0.202  0.596  0.097  1.0
  O  O19  1  0.797  0.594  0.604  1.0
  O  O20  1  0.904  0.702  0.097  1.0
  O  O21  1  0.094  0.703  0.604  1.0
  O  O22  1  0.406  0.797  0.396  1.0
  O  O23  1  0.596  0.798  0.903  1.0
  O  O24  1  0.703  0.906  0.396  1.0
  O  O25  1  0.298  0.904  0.903  1.0
  O  O26  1  0.000  0.000  0.500  1.0
  O  O27  1  0.000  0.000  0.000  1.0
  O  O28  1  0.702  0.096  0.903  1.0
  O  O29  1  0.297  0.094  0.396  1.0
  O  O30  1  0.404  0.202  0.903  1.0
  O  O31  1  0.594  0.203  0.396  1.0
[/CIF]
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The compound described by Y2ReO5 crystallizes in the tetragonal P4/n space group. Y(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. In the second Re site, Re(2) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Y(1) and one Re(1) atom to form distorted OY3Re tetrahedra that share  a cornercorner with one O(3)Y4 tetrahedra, corners with three equivalent O(1)Y3Re tetrahedra, corners with three equivalent O(4)Y4 tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, and edges with three equivalent O(1)Y3Re tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Y(1) and one Re(2) atom. In the third O site, O(3) is bonded to four equivalent Y(1) atoms to form OY4 tetrahedra that share corners with four equivalent O(1)Y3Re tetrahedra, edges with two equivalent O(4)Y4 tetrahedra, and edges with four equivalent O(1)Y3Re tetrahedra. In the fourth O site, O(4) is bonded to four equivalent Y(1) atoms to form OY4 tetrahedra that share corners with twelve equivalent O(1)Y3Re tetrahedra and edges with two equivalent O(3)Y4 tetrahedra. is represented by the CIF file [CIF]
data_Y2ReO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.498
_cell_length_b   8.498
_cell_length_c   5.629
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   406.572
_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
  Y  Y0  1  0.360  0.351  0.250  1.0
  Y  Y1  1  0.649  0.360  0.750  1.0
  Y  Y2  1  0.351  0.640  0.750  1.0
  Y  Y3  1  0.640  0.649  0.250  1.0
  Y  Y4  1  0.860  0.851  0.750  1.0
  Y  Y5  1  0.149  0.860  0.250  1.0
  Y  Y6  1  0.851  0.140  0.250  1.0
  Y  Y7  1  0.140  0.149  0.750  1.0
  Re  Re8  1  0.000  0.500  0.544  1.0
  Re  Re9  1  0.000  0.500  0.147  1.0
  Re  Re10  1  0.500  0.000  0.456  1.0
  Re  Re11  1  0.500  0.000  0.853  1.0
  O  O12  1  0.906  0.297  0.604  1.0
  O  O13  1  0.096  0.298  0.097  1.0
  O  O14  1  0.203  0.406  0.604  1.0
  O  O15  1  0.798  0.404  0.097  1.0
  O  O16  1  0.500  0.500  0.500  1.0
  O  O17  1  0.500  0.500  0.000  1.0
  O  O18  1  0.202  0.596  0.097  1.0
  O  O19  1  0.797  0.594  0.604  1.0
  O  O20  1  0.904  0.702  0.097  1.0
  O  O21  1  0.094  0.703  0.604  1.0
  O  O22  1  0.406  0.797  0.396  1.0
  O  O23  1  0.596  0.798  0.903  1.0
  O  O24  1  0.703  0.906  0.396  1.0
  O  O25  1  0.298  0.904  0.903  1.0
  O  O26  1  0.000  0.000  0.500  1.0
  O  O27  1  0.000  0.000  0.000  1.0
  O  O28  1  0.702  0.096  0.903  1.0
  O  O29  1  0.297  0.094  0.396  1.0
  O  O30  1  0.404  0.202  0.903  1.0
  O  O31  1  0.594  0.203  0.396  1.0
[/CIF]
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