The material structure described by Y3ReO8 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(7), one O(8), two equivalent O(5), and two equivalent O(6) atoms. In the third Y site, Y(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(8) atoms. Re(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded to one Y(1), one Y(3), and two equivalent Y(2) atoms to form distorted OY4 trigonal pyramids that share corners with two equivalent O(7)Y3Re tetrahedra, corners with two equivalent O(5)Y4 trigonal pyramids, corners with four equivalent O(2)Y3Re trigonal pyramids,  an edgeedge with one O(7)Y3Re tetrahedra, and edges with three equivalent O(6)Y4 tetrahedra. In the second O site, O(6) is bonded to one Y(1), one Y(3), and two equivalent Y(2) atoms to form distorted OY4 tetrahedra that share corners with two equivalent O(6)Y4 tetrahedra, corners with four equivalent O(7)Y3Re tetrahedra, corners with four equivalent O(2)Y3Re trigonal pyramids, and edges with three equivalent O(5)Y4 trigonal pyramids. In the third O site, O(7) is bonded to one Y(2), two equivalent Y(1), and one Re(1) atom to form distorted OY3Re tetrahedra that share corners with four equivalent O(6)Y4 tetrahedra, corners with two equivalent O(2)Y3Re trigonal pyramids, corners with two equivalent O(5)Y4 trigonal pyramids,  an edgeedge with one O(7)Y3Re tetrahedra,  an edgeedge with one O(2)Y3Re trigonal pyramid, and  an edgeedge with one O(5)Y4 trigonal pyramid. In the fourth O site, O(8) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(3), and one Re(1) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to one Y(1), one Y(3), and one Re(1) atom. In the sixth O site, O(2) is bonded to one Y(1), one Y(2), one Y(3), and one Re(1) atom to form distorted OY3Re trigonal pyramids that share corners with two equivalent O(7)Y3Re tetrahedra, corners with four equivalent O(6)Y4 tetrahedra, corners with four equivalent O(5)Y4 trigonal pyramids, and  an edgeedge with one O(7)Y3Re tetrahedra. In the seventh O site, O(3) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Y(3), and one Re(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(3), and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3ReO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.008
_cell_length_b   7.206
_cell_length_c   14.398
_cell_angle_alpha   68.683
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   580.670
_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  0.800  0.662  0.055  1.0
  Y  Y1  1  0.300  0.338  0.445  1.0
  Y  Y2  1  0.200  0.338  0.945  1.0
  Y  Y3  1  0.700  0.662  0.555  1.0
  Y  Y4  1  0.759  0.595  0.298  1.0
  Y  Y5  1  0.259  0.405  0.202  1.0
  Y  Y6  1  0.241  0.405  0.702  1.0
  Y  Y7  1  0.741  0.595  0.798  1.0
  Y  Y8  1  0.312  0.893  0.167  1.0
  Y  Y9  1  0.812  0.107  0.333  1.0
  Y  Y10  1  0.688  0.107  0.833  1.0
  Y  Y11  1  0.188  0.893  0.667  1.0
  Re  Re12  1  0.755  0.179  0.090  1.0
  Re  Re13  1  0.255  0.821  0.410  1.0
  Re  Re14  1  0.245  0.821  0.910  1.0
  Re  Re15  1  0.745  0.179  0.590  1.0
  O  O16  1  0.697  0.023  0.019  1.0
  O  O17  1  0.197  0.977  0.481  1.0
  O  O18  1  0.303  0.977  0.981  1.0
  O  O19  1  0.803  0.023  0.519  1.0
  O  O20  1  0.454  0.252  0.096  1.0
  O  O21  1  0.954  0.748  0.404  1.0
  O  O22  1  0.546  0.748  0.904  1.0
  O  O23  1  0.046  0.252  0.596  1.0
  O  O24  1  0.854  0.333  0.170  1.0
  O  O25  1  0.354  0.667  0.330  1.0
  O  O26  1  0.146  0.667  0.830  1.0
  O  O27  1  0.646  0.333  0.670  1.0
  O  O28  1  0.054  0.120  0.089  1.0
  O  O29  1  0.554  0.880  0.411  1.0
  O  O30  1  0.946  0.880  0.911  1.0
  O  O31  1  0.446  0.120  0.589  1.0
  O  O32  1  0.971  0.312  0.827  1.0
  O  O33  1  0.471  0.688  0.673  1.0
  O  O34  1  0.029  0.688  0.173  1.0
  O  O35  1  0.529  0.312  0.327  1.0
  O  O36  1  0.971  0.648  0.657  1.0
  O  O37  1  0.471  0.352  0.843  1.0
  O  O38  1  0.029  0.352  0.343  1.0
  O  O39  1  0.529  0.648  0.157  1.0
  O  O40  1  0.694  0.416  0.480  1.0
  O  O41  1  0.194  0.584  0.020  1.0
  O  O42  1  0.306  0.584  0.520  1.0
  O  O43  1  0.806  0.416  0.980  1.0
  O  O44  1  0.797  0.966  0.714  1.0
  O  O45  1  0.297  0.034  0.786  1.0
  O  O46  1  0.203  0.034  0.286  1.0
  O  O47  1  0.703  0.966  0.214  1.0
[/CIF]
.
The material structure described by Y3ReO8 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(7), one O(8), two equivalent O(5), and two equivalent O(6) atoms. In the third Y site, Y(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(8) atoms. Re(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded to one Y(1), one Y(3), and two equivalent Y(2) atoms to form distorted OY4 trigonal pyramids that share corners with two equivalent O(7)Y3Re tetrahedra, corners with two equivalent O(5)Y4 trigonal pyramids, corners with four equivalent O(2)Y3Re trigonal pyramids,  an edgeedge with one O(7)Y3Re tetrahedra, and edges with three equivalent O(6)Y4 tetrahedra. In the second O site, O(6) is bonded to one Y(1), one Y(3), and two equivalent Y(2) atoms to form distorted OY4 tetrahedra that share corners with two equivalent O(6)Y4 tetrahedra, corners with four equivalent O(7)Y3Re tetrahedra, corners with four equivalent O(2)Y3Re trigonal pyramids, and edges with three equivalent O(5)Y4 trigonal pyramids. In the third O site, O(7) is bonded to one Y(2), two equivalent Y(1), and one Re(1) atom to form distorted OY3Re tetrahedra that share corners with four equivalent O(6)Y4 tetrahedra, corners with two equivalent O(2)Y3Re trigonal pyramids, corners with two equivalent O(5)Y4 trigonal pyramids,  an edgeedge with one O(7)Y3Re tetrahedra,  an edgeedge with one O(2)Y3Re trigonal pyramid, and  an edgeedge with one O(5)Y4 trigonal pyramid. In the fourth O site, O(8) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(3), and one Re(1) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to one Y(1), one Y(3), and one Re(1) atom. In the sixth O site, O(2) is bonded to one Y(1), one Y(2), one Y(3), and one Re(1) atom to form distorted OY3Re trigonal pyramids that share corners with two equivalent O(7)Y3Re tetrahedra, corners with four equivalent O(6)Y4 tetrahedra, corners with four equivalent O(5)Y4 trigonal pyramids, and  an edgeedge with one O(7)Y3Re tetrahedra. In the seventh O site, O(3) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Y(3), and one Re(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(3), and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3ReO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.008
_cell_length_b   7.206
_cell_length_c   14.398
_cell_angle_alpha   68.683
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   580.670
_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  0.800  0.662  0.055  1.0
  Y  Y1  1  0.300  0.338  0.445  1.0
  Y  Y2  1  0.200  0.338  0.945  1.0
  Y  Y3  1  0.700  0.662  0.555  1.0
  Y  Y4  1  0.759  0.595  0.298  1.0
  Y  Y5  1  0.259  0.405  0.202  1.0
  Y  Y6  1  0.241  0.405  0.702  1.0
  Y  Y7  1  0.741  0.595  0.798  1.0
  Y  Y8  1  0.312  0.893  0.167  1.0
  Y  Y9  1  0.812  0.107  0.333  1.0
  Y  Y10  1  0.688  0.107  0.833  1.0
  Y  Y11  1  0.188  0.893  0.667  1.0
  Re  Re12  1  0.755  0.179  0.090  1.0
  Re  Re13  1  0.255  0.821  0.410  1.0
  Re  Re14  1  0.245  0.821  0.910  1.0
  Re  Re15  1  0.745  0.179  0.590  1.0
  O  O16  1  0.697  0.023  0.019  1.0
  O  O17  1  0.197  0.977  0.481  1.0
  O  O18  1  0.303  0.977  0.981  1.0
  O  O19  1  0.803  0.023  0.519  1.0
  O  O20  1  0.454  0.252  0.096  1.0
  O  O21  1  0.954  0.748  0.404  1.0
  O  O22  1  0.546  0.748  0.904  1.0
  O  O23  1  0.046  0.252  0.596  1.0
  O  O24  1  0.854  0.333  0.170  1.0
  O  O25  1  0.354  0.667  0.330  1.0
  O  O26  1  0.146  0.667  0.830  1.0
  O  O27  1  0.646  0.333  0.670  1.0
  O  O28  1  0.054  0.120  0.089  1.0
  O  O29  1  0.554  0.880  0.411  1.0
  O  O30  1  0.946  0.880  0.911  1.0
  O  O31  1  0.446  0.120  0.589  1.0
  O  O32  1  0.971  0.312  0.827  1.0
  O  O33  1  0.471  0.688  0.673  1.0
  O  O34  1  0.029  0.688  0.173  1.0
  O  O35  1  0.529  0.312  0.327  1.0
  O  O36  1  0.971  0.648  0.657  1.0
  O  O37  1  0.471  0.352  0.843  1.0
  O  O38  1  0.029  0.352  0.343  1.0
  O  O39  1  0.529  0.648  0.157  1.0
  O  O40  1  0.694  0.416  0.480  1.0
  O  O41  1  0.194  0.584  0.020  1.0
  O  O42  1  0.306  0.584  0.520  1.0
  O  O43  1  0.806  0.416  0.980  1.0
  O  O44  1  0.797  0.966  0.714  1.0
  O  O45  1  0.297  0.034  0.786  1.0
  O  O46  1  0.203  0.034  0.286  1.0
  O  O47  1  0.703  0.966  0.214  1.0
[/CIF]
.