The material described by LiTm(WO4)2 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 and edges with two equivalent Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. Tm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted TmO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. 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, corners with four equivalent Tm(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Tm(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 Tm(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar 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 Tm(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTm(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.864
_cell_length_b   5.108
_cell_length_c   10.949
_cell_angle_alpha   65.391
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.180
_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  0.698  0.000  0.750  1.0
  Li  Li1  1  0.302  0.000  0.250  1.0
  Tm  Tm2  1  0.319  0.500  0.750  1.0
  Tm  Tm3  1  0.681  0.500  0.250  1.0
  W  W4  1  0.825  0.737  0.511  1.0
  W  W5  1  0.175  0.263  0.489  1.0
  W  W6  1  0.825  0.263  0.989  1.0
  W  W7  1  0.175  0.737  0.011  1.0
  O  O8  1  0.890  0.844  0.098  1.0
  O  O9  1  0.110  0.156  0.902  1.0
  O  O10  1  0.890  0.156  0.402  1.0
  O  O11  1  0.110  0.844  0.598  1.0
  O  O12  1  0.372  0.721  0.884  1.0
  O  O13  1  0.628  0.279  0.116  1.0
  O  O14  1  0.372  0.279  0.616  1.0
  O  O15  1  0.628  0.721  0.384  1.0
  O  O16  1  0.909  0.656  0.889  1.0
  O  O17  1  0.091  0.344  0.111  1.0
  O  O18  1  0.909  0.344  0.611  1.0
  O  O19  1  0.091  0.656  0.389  1.0
  O  O20  1  0.626  0.766  0.633  1.0
  O  O21  1  0.374  0.234  0.367  1.0
  O  O22  1  0.626  0.234  0.867  1.0
  O  O23  1  0.374  0.766  0.133  1.0
[/CIF]
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The material described by LiTm(WO4)2 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 and edges with two equivalent Tm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. Tm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted TmO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. 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, corners with four equivalent Tm(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Tm(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 Tm(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar 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 Tm(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTm(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.864
_cell_length_b   5.108
_cell_length_c   10.949
_cell_angle_alpha   65.391
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.180
_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  0.698  0.000  0.750  1.0
  Li  Li1  1  0.302  0.000  0.250  1.0
  Tm  Tm2  1  0.319  0.500  0.750  1.0
  Tm  Tm3  1  0.681  0.500  0.250  1.0
  W  W4  1  0.825  0.737  0.511  1.0
  W  W5  1  0.175  0.263  0.489  1.0
  W  W6  1  0.825  0.263  0.989  1.0
  W  W7  1  0.175  0.737  0.011  1.0
  O  O8  1  0.890  0.844  0.098  1.0
  O  O9  1  0.110  0.156  0.902  1.0
  O  O10  1  0.890  0.156  0.402  1.0
  O  O11  1  0.110  0.844  0.598  1.0
  O  O12  1  0.372  0.721  0.884  1.0
  O  O13  1  0.628  0.279  0.116  1.0
  O  O14  1  0.372  0.279  0.616  1.0
  O  O15  1  0.628  0.721  0.384  1.0
  O  O16  1  0.909  0.656  0.889  1.0
  O  O17  1  0.091  0.344  0.111  1.0
  O  O18  1  0.909  0.344  0.611  1.0
  O  O19  1  0.091  0.656  0.389  1.0
  O  O20  1  0.626  0.766  0.633  1.0
  O  O21  1  0.374  0.234  0.367  1.0
  O  O22  1  0.626  0.234  0.867  1.0
  O  O23  1  0.374  0.766  0.133  1.0
[/CIF]
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