The material described by YTa(WO4)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Y(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted YO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. 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 Ta(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Y(1), one Ta(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Y(1) and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YTa(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.843
_cell_length_b   5.474
_cell_length_c   10.981
_cell_angle_alpha   61.981
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.025
_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  0.665  0.500  0.750  1.0
  Y  Y1  1  0.335  0.500  0.250  1.0
  Ta  Ta2  1  0.338  0.000  0.750  1.0
  Ta  Ta3  1  0.662  0.000  0.250  1.0
  W  W4  1  0.151  0.755  0.500  1.0
  W  W5  1  0.151  0.245  0.000  1.0
  W  W6  1  0.849  0.245  0.500  1.0
  W  W7  1  0.849  0.755  1.000  1.0
  O  O8  1  0.358  0.204  0.859  1.0
  O  O9  1  0.358  0.796  0.641  1.0
  O  O10  1  0.642  0.796  0.141  1.0
  O  O11  1  0.642  0.204  0.359  1.0
  O  O12  1  0.887  0.706  0.381  1.0
  O  O13  1  0.887  0.294  0.119  1.0
  O  O14  1  0.113  0.294  0.619  1.0
  O  O15  1  0.113  0.706  0.881  1.0
  O  O16  1  0.598  0.750  0.867  1.0
  O  O17  1  0.598  0.250  0.633  1.0
  O  O18  1  0.402  0.250  0.133  1.0
  O  O19  1  0.402  0.750  0.367  1.0
  O  O20  1  0.887  0.186  0.897  1.0
  O  O21  1  0.113  0.814  0.103  1.0
  O  O22  1  0.887  0.814  0.603  1.0
  O  O23  1  0.113  0.186  0.397  1.0
[/CIF]
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The material described by YTa(WO4)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Y(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted YO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-61°. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. 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 Ta(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Y(1), one Ta(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Y(1) and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YTa(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.843
_cell_length_b   5.474
_cell_length_c   10.981
_cell_angle_alpha   61.981
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.025
_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  0.665  0.500  0.750  1.0
  Y  Y1  1  0.335  0.500  0.250  1.0
  Ta  Ta2  1  0.338  0.000  0.750  1.0
  Ta  Ta3  1  0.662  0.000  0.250  1.0
  W  W4  1  0.151  0.755  0.500  1.0
  W  W5  1  0.151  0.245  0.000  1.0
  W  W6  1  0.849  0.245  0.500  1.0
  W  W7  1  0.849  0.755  1.000  1.0
  O  O8  1  0.358  0.204  0.859  1.0
  O  O9  1  0.358  0.796  0.641  1.0
  O  O10  1  0.642  0.796  0.141  1.0
  O  O11  1  0.642  0.204  0.359  1.0
  O  O12  1  0.887  0.706  0.381  1.0
  O  O13  1  0.887  0.294  0.119  1.0
  O  O14  1  0.113  0.294  0.619  1.0
  O  O15  1  0.113  0.706  0.881  1.0
  O  O16  1  0.598  0.750  0.867  1.0
  O  O17  1  0.598  0.250  0.633  1.0
  O  O18  1  0.402  0.250  0.133  1.0
  O  O19  1  0.402  0.750  0.367  1.0
  O  O20  1  0.887  0.186  0.897  1.0
  O  O21  1  0.113  0.814  0.103  1.0
  O  O22  1  0.887  0.814  0.603  1.0
  O  O23  1  0.113  0.186  0.397  1.0
[/CIF]
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