The crystal structure described by Y7ReO14 crystallizes in the trigonal R-3m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms to form distorted YO8 hexagonal bipyramids that share edges with four equivalent Y(1)O8 hexagonal bipyramids, edges with two equivalent Re(1)O6 octahedra, and edges with four equivalent Y(2)O6 octahedra. In the second Y site, Y(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted YO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with four equivalent Y(2)O6 octahedra, and edges with four equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-67°. In the third Y site, Y(3) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. Re(1) is bonded to six equivalent O(3) atoms to form ReO6 octahedra that share corners with six equivalent Y(2)O6 octahedra and edges with six equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one Re(1) atom. In the second O site, O(1) is bonded to one Y(3) and three equivalent Y(1) atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the third O site, O(2) is bonded to one Y(1), one Y(3), and two equivalent Y(2) atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. is represented by the CIF card [CIF]
data_Y7ReO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.710
_cell_length_b   7.710
_cell_length_c   7.710
_cell_angle_alpha   58.584
_cell_angle_beta   58.584
_cell_angle_gamma   58.584
_symmetry_Int_Tables_number   1
_cell_volume   313.601
_cell_formula_units_Z   1
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  0.000  0.000  0.500  1.0
  Y  Y1  1  0.500  0.000  0.000  1.0
  Y  Y2  1  0.000  0.500  0.000  1.0
  Y  Y3  1  0.500  0.500  0.000  1.0
  Y  Y4  1  0.000  0.500  0.500  1.0
  Y  Y5  1  0.500  0.000  0.500  1.0
  Y  Y6  1  0.000  0.000  0.000  1.0
  Re  Re7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.865  0.865  0.865  1.0
  O  O9  1  0.864  0.404  0.864  1.0
  O  O10  1  0.404  0.864  0.864  1.0
  O  O11  1  0.864  0.864  0.404  1.0
  O  O12  1  0.135  0.135  0.135  1.0
  O  O13  1  0.136  0.596  0.136  1.0
  O  O14  1  0.596  0.136  0.136  1.0
  O  O15  1  0.136  0.136  0.596  1.0
  O  O16  1  0.430  0.797  0.430  1.0
  O  O17  1  0.797  0.430  0.430  1.0
  O  O18  1  0.430  0.430  0.797  1.0
  O  O19  1  0.570  0.203  0.570  1.0
  O  O20  1  0.203  0.570  0.570  1.0
  O  O21  1  0.570  0.570  0.203  1.0
[/CIF]
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The crystal structure described by Y7ReO14 crystallizes in the trigonal R-3m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms to form distorted YO8 hexagonal bipyramids that share edges with four equivalent Y(1)O8 hexagonal bipyramids, edges with two equivalent Re(1)O6 octahedra, and edges with four equivalent Y(2)O6 octahedra. In the second Y site, Y(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted YO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with four equivalent Y(2)O6 octahedra, and edges with four equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-67°. In the third Y site, Y(3) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. Re(1) is bonded to six equivalent O(3) atoms to form ReO6 octahedra that share corners with six equivalent Y(2)O6 octahedra and edges with six equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one Re(1) atom. In the second O site, O(1) is bonded to one Y(3) and three equivalent Y(1) atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the third O site, O(2) is bonded to one Y(1), one Y(3), and two equivalent Y(2) atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. is represented by the CIF card [CIF]
data_Y7ReO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.710
_cell_length_b   7.710
_cell_length_c   7.710
_cell_angle_alpha   58.584
_cell_angle_beta   58.584
_cell_angle_gamma   58.584
_symmetry_Int_Tables_number   1
_cell_volume   313.601
_cell_formula_units_Z   1
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  0.000  0.000  0.500  1.0
  Y  Y1  1  0.500  0.000  0.000  1.0
  Y  Y2  1  0.000  0.500  0.000  1.0
  Y  Y3  1  0.500  0.500  0.000  1.0
  Y  Y4  1  0.000  0.500  0.500  1.0
  Y  Y5  1  0.500  0.000  0.500  1.0
  Y  Y6  1  0.000  0.000  0.000  1.0
  Re  Re7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.865  0.865  0.865  1.0
  O  O9  1  0.864  0.404  0.864  1.0
  O  O10  1  0.404  0.864  0.864  1.0
  O  O11  1  0.864  0.864  0.404  1.0
  O  O12  1  0.135  0.135  0.135  1.0
  O  O13  1  0.136  0.596  0.136  1.0
  O  O14  1  0.596  0.136  0.136  1.0
  O  O15  1  0.136  0.136  0.596  1.0
  O  O16  1  0.430  0.797  0.430  1.0
  O  O17  1  0.797  0.430  0.430  1.0
  O  O18  1  0.430  0.430  0.797  1.0
  O  O19  1  0.570  0.203  0.570  1.0
  O  O20  1  0.203  0.570  0.570  1.0
  O  O21  1  0.570  0.570  0.203  1.0
[/CIF]
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