The compound described by LiY3WO8 crystallizes in the orthorhombic C222 space group. Li(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 19°. W(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form WO6 octahedra that share corners with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Y(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Y(2) and two equivalent Y(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Y(1), one Y(2), and one W(1) atom. is represented by the CIF card [CIF]
data_LiY3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.292
_cell_length_b   6.292
_cell_length_c   6.152
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.522
_symmetry_Int_Tables_number   1
_cell_volume   198.239
_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
  Li  Li0  1  0.500  0.500  0.000  1.0
  Y  Y1  1  0.500  0.000  0.742  1.0
  Y  Y2  1  0.000  0.500  0.258  1.0
  Y  Y3  1  0.500  0.500  0.500  1.0
  W  W4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.824  0.176  0.000  1.0
  O  O6  1  0.696  0.304  0.500  1.0
  O  O7  1  0.275  0.218  0.786  1.0
  O  O8  1  0.218  0.275  0.214  1.0
  O  O9  1  0.782  0.725  0.214  1.0
  O  O10  1  0.725  0.782  0.786  1.0
  O  O11  1  0.304  0.696  0.500  1.0
  O  O12  1  0.176  0.824  0.000  1.0
[/CIF]
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The compound described by LiY3WO8 crystallizes in the orthorhombic C222 space group. Li(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 19°. W(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form WO6 octahedra that share corners with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Y(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Y(2) and two equivalent Y(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Y(1), one Y(2), and one W(1) atom. is represented by the CIF card [CIF]
data_LiY3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.292
_cell_length_b   6.292
_cell_length_c   6.152
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.522
_symmetry_Int_Tables_number   1
_cell_volume   198.239
_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
  Li  Li0  1  0.500  0.500  0.000  1.0
  Y  Y1  1  0.500  0.000  0.742  1.0
  Y  Y2  1  0.000  0.500  0.258  1.0
  Y  Y3  1  0.500  0.500  0.500  1.0
  W  W4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.824  0.176  0.000  1.0
  O  O6  1  0.696  0.304  0.500  1.0
  O  O7  1  0.275  0.218  0.786  1.0
  O  O8  1  0.218  0.275  0.214  1.0
  O  O9  1  0.782  0.725  0.214  1.0
  O  O10  1  0.725  0.782  0.786  1.0
  O  O11  1  0.304  0.696  0.500  1.0
  O  O12  1  0.176  0.824  0.000  1.0
[/CIF]
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