The material described by YBi(WO4)2 crystallizes in the monoclinic P2/c space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-69°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted BiO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-69°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Y(1), one W(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Y(1), two equivalent W(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Y(1), one W(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Y(1) and two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_YBi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.741
_cell_length_b   5.393
_cell_length_c   11.260
_cell_angle_alpha   68.234
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.777
_cell_formula_units_Z   2
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  0.729  0.000  0.750  1.0
  Y  Y1  1  0.271  0.000  0.250  1.0
  Bi  Bi2  1  0.308  0.500  0.750  1.0
  Bi  Bi3  1  0.692  0.500  0.250  1.0
  W  W4  1  0.174  0.251  0.501  1.0
  W  W5  1  0.174  0.749  0.999  1.0
  W  W6  1  0.826  0.749  0.499  1.0
  W  W7  1  0.826  0.251  0.001  1.0
  O  O8  1  0.400  0.754  0.873  1.0
  O  O9  1  0.400  0.246  0.627  1.0
  O  O10  1  0.600  0.246  0.127  1.0
  O  O11  1  0.600  0.754  0.373  1.0
  O  O12  1  0.927  0.121  0.389  1.0
  O  O13  1  0.927  0.879  0.111  1.0
  O  O14  1  0.073  0.879  0.611  1.0
  O  O15  1  0.073  0.121  0.889  1.0
  O  O16  1  0.613  0.245  0.867  1.0
  O  O17  1  0.613  0.755  0.633  1.0
  O  O18  1  0.387  0.755  0.133  1.0
  O  O19  1  0.387  0.245  0.367  1.0
  O  O20  1  0.907  0.633  0.897  1.0
  O  O21  1  0.093  0.367  0.103  1.0
  O  O22  1  0.907  0.367  0.603  1.0
  O  O23  1  0.093  0.633  0.397  1.0
[/CIF]
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The material described by YBi(WO4)2 crystallizes in the monoclinic P2/c space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-69°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted BiO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-69°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Y(1), one W(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Y(1), two equivalent W(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Y(1), one W(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Y(1) and two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_YBi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.741
_cell_length_b   5.393
_cell_length_c   11.260
_cell_angle_alpha   68.234
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.777
_cell_formula_units_Z   2
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  0.729  0.000  0.750  1.0
  Y  Y1  1  0.271  0.000  0.250  1.0
  Bi  Bi2  1  0.308  0.500  0.750  1.0
  Bi  Bi3  1  0.692  0.500  0.250  1.0
  W  W4  1  0.174  0.251  0.501  1.0
  W  W5  1  0.174  0.749  0.999  1.0
  W  W6  1  0.826  0.749  0.499  1.0
  W  W7  1  0.826  0.251  0.001  1.0
  O  O8  1  0.400  0.754  0.873  1.0
  O  O9  1  0.400  0.246  0.627  1.0
  O  O10  1  0.600  0.246  0.127  1.0
  O  O11  1  0.600  0.754  0.373  1.0
  O  O12  1  0.927  0.121  0.389  1.0
  O  O13  1  0.927  0.879  0.111  1.0
  O  O14  1  0.073  0.879  0.611  1.0
  O  O15  1  0.073  0.121  0.889  1.0
  O  O16  1  0.613  0.245  0.867  1.0
  O  O17  1  0.613  0.755  0.633  1.0
  O  O18  1  0.387  0.755  0.133  1.0
  O  O19  1  0.387  0.245  0.367  1.0
  O  O20  1  0.907  0.633  0.897  1.0
  O  O21  1  0.093  0.367  0.103  1.0
  O  O22  1  0.907  0.367  0.603  1.0
  O  O23  1  0.093  0.633  0.397  1.0
[/CIF]
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