The structure described by LiEr2(WO4)4(Tl)2 crystallizes in the monoclinic C2 space group. The structure consists of four 7440-28-0 atoms inside a LiEr2(WO4)4 framework. In the LiEr2(WO4)4 framework, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. In the second Er site, Er(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. In the second W site, W(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Er(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one W(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Er(1), one W(1), and one W(2) atom to form distorted edge-sharing OLiErW2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Er(2), one W(1), and one W(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Er(1) and one W(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Er(2) and one W(2) atom. is represented by the CIF card [CIF]
data_LiEr2Tl2(WO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.762
_cell_length_b   7.762
_cell_length_c   7.549
_cell_angle_alpha   61.569
_cell_angle_beta   61.569
_cell_angle_gamma   87.424
_symmetry_Int_Tables_number   1
_cell_volume   341.879
_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  0.507  0.493  0.750  1.0
  Er  Er1  1  0.222  0.778  0.750  1.0
  Er  Er2  1  0.775  0.225  0.250  1.0
  Tl  Tl3  1  0.792  0.208  0.750  1.0
  Tl  Tl4  1  0.207  0.793  0.250  1.0
  W  W5  1  0.287  0.302  0.705  1.0
  W  W6  1  0.707  0.697  0.287  1.0
  W  W7  1  0.698  0.713  0.795  1.0
  W  W8  1  0.303  0.293  0.213  1.0
  O  O9  1  0.363  0.237  0.953  1.0
  O  O10  1  0.630  0.759  0.057  1.0
  O  O11  1  0.763  0.637  0.547  1.0
  O  O12  1  0.241  0.370  0.443  1.0
  O  O13  1  0.646  0.950  0.618  1.0
  O  O14  1  0.355  0.054  0.383  1.0
  O  O15  1  0.050  0.354  0.882  1.0
  O  O16  1  0.946  0.645  0.117  1.0
  O  O17  1  0.408  0.623  0.546  1.0
  O  O18  1  0.592  0.379  0.462  1.0
  O  O19  1  0.377  0.592  0.954  1.0
  O  O20  1  0.621  0.408  0.038  1.0
  O  O21  1  0.236  0.032  0.805  1.0
  O  O22  1  0.762  0.964  0.194  1.0
  O  O23  1  0.968  0.764  0.695  1.0
  O  O24  1  0.036  0.238  0.306  1.0
[/CIF]
.
The structure described by LiEr2(WO4)4(Tl)2 crystallizes in the monoclinic C2 space group. The structure consists of four 7440-28-0 atoms inside a LiEr2(WO4)4 framework. In the LiEr2(WO4)4 framework, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. In the second Er site, Er(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. In the second W site, W(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Er(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one W(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Er(1), one W(1), and one W(2) atom to form distorted edge-sharing OLiErW2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Er(2), one W(1), and one W(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Er(1) and one W(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Er(2) and one W(2) atom. is represented by the CIF card [CIF]
data_LiEr2Tl2(WO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.762
_cell_length_b   7.762
_cell_length_c   7.549
_cell_angle_alpha   61.569
_cell_angle_beta   61.569
_cell_angle_gamma   87.424
_symmetry_Int_Tables_number   1
_cell_volume   341.879
_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  0.507  0.493  0.750  1.0
  Er  Er1  1  0.222  0.778  0.750  1.0
  Er  Er2  1  0.775  0.225  0.250  1.0
  Tl  Tl3  1  0.792  0.208  0.750  1.0
  Tl  Tl4  1  0.207  0.793  0.250  1.0
  W  W5  1  0.287  0.302  0.705  1.0
  W  W6  1  0.707  0.697  0.287  1.0
  W  W7  1  0.698  0.713  0.795  1.0
  W  W8  1  0.303  0.293  0.213  1.0
  O  O9  1  0.363  0.237  0.953  1.0
  O  O10  1  0.630  0.759  0.057  1.0
  O  O11  1  0.763  0.637  0.547  1.0
  O  O12  1  0.241  0.370  0.443  1.0
  O  O13  1  0.646  0.950  0.618  1.0
  O  O14  1  0.355  0.054  0.383  1.0
  O  O15  1  0.050  0.354  0.882  1.0
  O  O16  1  0.946  0.645  0.117  1.0
  O  O17  1  0.408  0.623  0.546  1.0
  O  O18  1  0.592  0.379  0.462  1.0
  O  O19  1  0.377  0.592  0.954  1.0
  O  O20  1  0.621  0.408  0.038  1.0
  O  O21  1  0.236  0.032  0.805  1.0
  O  O22  1  0.762  0.964  0.194  1.0
  O  O23  1  0.968  0.764  0.695  1.0
  O  O24  1  0.036  0.238  0.306  1.0
[/CIF]
.