The material structure described by YRe(WO4)2 crystallizes in the triclinic P-1 space group. Y(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form YO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. Re(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Y(1) and one W(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Y(1), one W(1), and one Re(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent W(1) and one Re(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_YRe(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.220
_cell_length_b   5.834
_cell_length_c   6.199
_cell_angle_alpha   113.033
_cell_angle_beta   111.411
_cell_angle_gamma   86.017
_symmetry_Int_Tables_number   1
_cell_volume   161.138
_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  0.500  0.500  1.0
  Re  Re1  1  0.500  0.000  0.500  1.0
  W  W2  1  0.762  0.838  0.017  1.0
  W  W3  1  0.238  0.162  0.983  1.0
  O  O4  1  0.795  0.541  0.775  1.0
  O  O5  1  0.729  0.771  0.302  1.0
  O  O6  1  0.835  0.019  0.798  1.0
  O  O7  1  0.659  0.193  0.187  1.0
  O  O8  1  0.271  0.229  0.698  1.0
  O  O9  1  0.205  0.459  0.225  1.0
  O  O10  1  0.165  0.981  0.202  1.0
  O  O11  1  0.341  0.807  0.813  1.0
[/CIF]
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The material structure described by YRe(WO4)2 crystallizes in the triclinic P-1 space group. Y(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form YO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. Re(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Y(1) and one W(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Y(1), one W(1), and one Re(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent W(1) and one Re(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_YRe(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.220
_cell_length_b   5.834
_cell_length_c   6.199
_cell_angle_alpha   113.033
_cell_angle_beta   111.411
_cell_angle_gamma   86.017
_symmetry_Int_Tables_number   1
_cell_volume   161.138
_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  0.500  0.500  1.0
  Re  Re1  1  0.500  0.000  0.500  1.0
  W  W2  1  0.762  0.838  0.017  1.0
  W  W3  1  0.238  0.162  0.983  1.0
  O  O4  1  0.795  0.541  0.775  1.0
  O  O5  1  0.729  0.771  0.302  1.0
  O  O6  1  0.835  0.019  0.798  1.0
  O  O7  1  0.659  0.193  0.187  1.0
  O  O8  1  0.271  0.229  0.698  1.0
  O  O9  1  0.205  0.459  0.225  1.0
  O  O10  1  0.165  0.981  0.202  1.0
  O  O11  1  0.341  0.807  0.813  1.0
[/CIF]
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