The structure described by LiTbW2O8 crystallizes in the monoclinic P2/c space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. Tb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted WO6 octahedra that share corners with four equivalent Li(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Tb(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Tb(1), and one W(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Tb(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTb(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.879
_cell_length_b   5.138
_cell_length_c   11.005
_cell_angle_alpha   66.555
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   304.956
_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
  Li  Li0  1  0.693  0.000  0.750  1.0
  Li  Li1  1  0.307  0.000  0.250  1.0
  Tb  Tb2  1  0.307  0.500  0.750  1.0
  Tb  Tb3  1  0.693  0.500  0.250  1.0
  W  W4  1  0.825  0.736  0.514  1.0
  W  W5  1  0.175  0.264  0.486  1.0
  W  W6  1  0.825  0.264  0.986  1.0
  W  W7  1  0.175  0.736  0.014  1.0
  O  O8  1  0.892  0.853  0.096  1.0
  O  O9  1  0.108  0.147  0.904  1.0
  O  O10  1  0.892  0.147  0.404  1.0
  O  O11  1  0.108  0.853  0.596  1.0
  O  O12  1  0.373  0.721  0.888  1.0
  O  O13  1  0.627  0.279  0.112  1.0
  O  O14  1  0.373  0.279  0.612  1.0
  O  O15  1  0.627  0.721  0.388  1.0
  O  O16  1  0.913  0.648  0.888  1.0
  O  O17  1  0.087  0.352  0.112  1.0
  O  O18  1  0.913  0.352  0.612  1.0
  O  O19  1  0.087  0.648  0.388  1.0
  O  O20  1  0.627  0.768  0.635  1.0
  O  O21  1  0.373  0.232  0.365  1.0
  O  O22  1  0.627  0.232  0.865  1.0
  O  O23  1  0.373  0.768  0.135  1.0
[/CIF]
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The structure described by LiTbW2O8 crystallizes in the monoclinic P2/c space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. Tb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted WO6 octahedra that share corners with four equivalent Li(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Tb(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Tb(1), and one W(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Tb(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTb(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.879
_cell_length_b   5.138
_cell_length_c   11.005
_cell_angle_alpha   66.555
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   304.956
_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
  Li  Li0  1  0.693  0.000  0.750  1.0
  Li  Li1  1  0.307  0.000  0.250  1.0
  Tb  Tb2  1  0.307  0.500  0.750  1.0
  Tb  Tb3  1  0.693  0.500  0.250  1.0
  W  W4  1  0.825  0.736  0.514  1.0
  W  W5  1  0.175  0.264  0.486  1.0
  W  W6  1  0.825  0.264  0.986  1.0
  W  W7  1  0.175  0.736  0.014  1.0
  O  O8  1  0.892  0.853  0.096  1.0
  O  O9  1  0.108  0.147  0.904  1.0
  O  O10  1  0.892  0.147  0.404  1.0
  O  O11  1  0.108  0.853  0.596  1.0
  O  O12  1  0.373  0.721  0.888  1.0
  O  O13  1  0.627  0.279  0.112  1.0
  O  O14  1  0.373  0.279  0.612  1.0
  O  O15  1  0.627  0.721  0.388  1.0
  O  O16  1  0.913  0.648  0.888  1.0
  O  O17  1  0.087  0.352  0.112  1.0
  O  O18  1  0.913  0.352  0.612  1.0
  O  O19  1  0.087  0.648  0.388  1.0
  O  O20  1  0.627  0.768  0.635  1.0
  O  O21  1  0.373  0.232  0.365  1.0
  O  O22  1  0.627  0.232  0.865  1.0
  O  O23  1  0.373  0.768  0.135  1.0
[/CIF]
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