The material structure described by Cs2LiTm2(WO4)4 crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one Li(1), one O(1), one O(10), one O(12), one O(14), one O(16), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. Li(1) is bonded to one Cs(1), one O(13), one O(14), one O(15), one O(2), and one O(8) atom to form distorted LiCsO5 square pyramids that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one O(10)CsTmW2 trigonal pyramid,  an edgeedge with one W(3)O6 octahedra,  a faceface with one W(2)O6 octahedra, and  a faceface with one Tm(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(6), one O(8), and one O(9) atom to form distorted TmO7 pentagonal bipyramids that share  a cornercorner with one W(3)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(4)O6 octahedra,  an edgeedge with one W(3)O6 octahedra, and  a faceface with one Li(1)CsO5 square pyramid. The corner-sharing octahedral tilt angles range from 25-57°. In the second Tm site, Tm(2) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(5), one O(6), and one O(7) atom. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(13), one O(4), one O(7), and one O(9) atom to form WO6 octahedra that share corners with two equivalent W(4)O6 octahedra, corners with two equivalent Tm(1)O7 pentagonal bipyramids,  a cornercorner with one Li(1)CsO5 square pyramid, and  an edgeedge with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the second W site, W(2) is bonded to one O(10), one O(14), one O(2), one O(3), one O(8), and one O(9) atom to form distorted WO6 octahedra that share corners with two equivalent W(3)O6 octahedra, corners with two equivalent Tm(1)O7 pentagonal bipyramids,  an edgeedge with one W(1)O6 octahedra, and  a faceface with one Li(1)CsO5 square pyramid. The corner-sharing octahedral tilt angles range from 38-42°. In the third W site, W(3) is bonded to one O(11), one O(12), one O(15), one O(2), one O(3), and one O(5) atom to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra,  a cornercorner with one Tm(1)O7 pentagonal bipyramid,  an edgeedge with one W(4)O6 octahedra,  an edgeedge with one Tm(1)O7 pentagonal bipyramid, and  an edgeedge with one Li(1)CsO5 square pyramid. The corner-sharing octahedral tilt angles range from 38-42°. In the fourth W site, W(4) is bonded to one O(1), one O(11), one O(12), one O(16), one O(4), and one O(6) atom to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent Tm(1)O7 pentagonal bipyramids, and  an edgeedge with one W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one W(1), and one W(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Li(1), one W(2), and one W(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Cs(1), one Cs(2), one W(2), and one W(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one W(1), and one W(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(1), one Tm(2), and one W(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Cs(2), one Tm(1), one Tm(2), and one W(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(2), and one W(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Cs(2), one Li(1), one Tm(1), and one W(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Cs(2), one Tm(1), one W(1), and one W(2) atom. In the tenth O site, O(10) is bonded to one Cs(1), one Tm(2), one W(1), and one W(2) atom to form distorted OCsTmW2 trigonal pyramids that share  a cornercorner with one Li(1)CsO5 square pyramid. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Cs(2), one Tm(1), one W(3), and one W(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Cs(1), one Tm(2), one W(3), and one W(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Cs(2), one Li(1), one Tm(1), and one W(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cs(1), one Li(1), one Tm(2), and one W(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Cs(2), one Li(1), one Tm(1), and one W(3) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Cs(1), one Tm(2), and one W(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2LiTm2(WO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.525
_cell_length_b   7.857
_cell_length_c   7.506
_cell_angle_alpha   63.535
_cell_angle_beta   63.255
_cell_angle_gamma   90.363
_symmetry_Int_Tables_number   1
_cell_volume   342.688
_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
  Cs  Cs0  1  0.785  0.229  0.729  1.0
  Cs  Cs1  1  0.214  0.809  0.245  1.0
  Li  Li2  1  0.937  0.932  0.895  1.0
  Tm  Tm3  1  0.267  0.786  0.733  1.0
  Tm  Tm4  1  0.757  0.198  0.252  1.0
  W  W5  1  0.295  0.310  0.710  1.0
  W  W6  1  0.705  0.672  0.309  1.0
  W  W7  1  0.694  0.703  0.800  1.0
  W  W8  1  0.310  0.302  0.209  1.0
  O  O9  1  0.372  0.253  0.934  1.0
  O  O10  1  0.633  0.755  0.051  1.0
  O  O11  1  0.759  0.629  0.570  1.0
  O  O12  1  0.243  0.375  0.435  1.0
  O  O13  1  0.611  0.922  0.638  1.0
  O  O14  1  0.385  0.077  0.362  1.0
  O  O15  1  0.043  0.341  0.883  1.0
  O  O16  1  0.960  0.660  0.107  1.0
  O  O17  1  0.400  0.615  0.549  1.0
  O  O18  1  0.588  0.361  0.465  1.0
  O  O19  1  0.370  0.582  0.968  1.0
  O  O20  1  0.633  0.417  0.032  1.0
  O  O21  1  0.217  0.048  0.790  1.0
  O  O22  1  0.771  0.953  0.194  1.0
  O  O23  1  0.971  0.794  0.699  1.0
  O  O24  1  0.039  0.218  0.298  1.0
[/CIF]
.
The material structure described by Cs2LiTm2(WO4)4 crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one Li(1), one O(1), one O(10), one O(12), one O(14), one O(16), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. Li(1) is bonded to one Cs(1), one O(13), one O(14), one O(15), one O(2), and one O(8) atom to form distorted LiCsO5 square pyramids that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one O(10)CsTmW2 trigonal pyramid,  an edgeedge with one W(3)O6 octahedra,  a faceface with one W(2)O6 octahedra, and  a faceface with one Tm(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(6), one O(8), and one O(9) atom to form distorted TmO7 pentagonal bipyramids that share  a cornercorner with one W(3)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(4)O6 octahedra,  an edgeedge with one W(3)O6 octahedra, and  a faceface with one Li(1)CsO5 square pyramid. The corner-sharing octahedral tilt angles range from 25-57°. In the second Tm site, Tm(2) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(5), one O(6), and one O(7) atom. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(13), one O(4), one O(7), and one O(9) atom to form WO6 octahedra that share corners with two equivalent W(4)O6 octahedra, corners with two equivalent Tm(1)O7 pentagonal bipyramids,  a cornercorner with one Li(1)CsO5 square pyramid, and  an edgeedge with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the second W site, W(2) is bonded to one O(10), one O(14), one O(2), one O(3), one O(8), and one O(9) atom to form distorted WO6 octahedra that share corners with two equivalent W(3)O6 octahedra, corners with two equivalent Tm(1)O7 pentagonal bipyramids,  an edgeedge with one W(1)O6 octahedra, and  a faceface with one Li(1)CsO5 square pyramid. The corner-sharing octahedral tilt angles range from 38-42°. In the third W site, W(3) is bonded to one O(11), one O(12), one O(15), one O(2), one O(3), and one O(5) atom to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra,  a cornercorner with one Tm(1)O7 pentagonal bipyramid,  an edgeedge with one W(4)O6 octahedra,  an edgeedge with one Tm(1)O7 pentagonal bipyramid, and  an edgeedge with one Li(1)CsO5 square pyramid. The corner-sharing octahedral tilt angles range from 38-42°. In the fourth W site, W(4) is bonded to one O(1), one O(11), one O(12), one O(16), one O(4), and one O(6) atom to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent Tm(1)O7 pentagonal bipyramids, and  an edgeedge with one W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one W(1), and one W(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Li(1), one W(2), and one W(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Cs(1), one Cs(2), one W(2), and one W(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one W(1), and one W(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(1), one Tm(2), and one W(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Cs(2), one Tm(1), one Tm(2), and one W(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(2), and one W(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Cs(2), one Li(1), one Tm(1), and one W(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Cs(2), one Tm(1), one W(1), and one W(2) atom. In the tenth O site, O(10) is bonded to one Cs(1), one Tm(2), one W(1), and one W(2) atom to form distorted OCsTmW2 trigonal pyramids that share  a cornercorner with one Li(1)CsO5 square pyramid. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Cs(2), one Tm(1), one W(3), and one W(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Cs(1), one Tm(2), one W(3), and one W(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Cs(2), one Li(1), one Tm(1), and one W(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cs(1), one Li(1), one Tm(2), and one W(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Cs(2), one Li(1), one Tm(1), and one W(3) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Cs(1), one Tm(2), and one W(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2LiTm2(WO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.525
_cell_length_b   7.857
_cell_length_c   7.506
_cell_angle_alpha   63.535
_cell_angle_beta   63.255
_cell_angle_gamma   90.363
_symmetry_Int_Tables_number   1
_cell_volume   342.688
_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
  Cs  Cs0  1  0.785  0.229  0.729  1.0
  Cs  Cs1  1  0.214  0.809  0.245  1.0
  Li  Li2  1  0.937  0.932  0.895  1.0
  Tm  Tm3  1  0.267  0.786  0.733  1.0
  Tm  Tm4  1  0.757  0.198  0.252  1.0
  W  W5  1  0.295  0.310  0.710  1.0
  W  W6  1  0.705  0.672  0.309  1.0
  W  W7  1  0.694  0.703  0.800  1.0
  W  W8  1  0.310  0.302  0.209  1.0
  O  O9  1  0.372  0.253  0.934  1.0
  O  O10  1  0.633  0.755  0.051  1.0
  O  O11  1  0.759  0.629  0.570  1.0
  O  O12  1  0.243  0.375  0.435  1.0
  O  O13  1  0.611  0.922  0.638  1.0
  O  O14  1  0.385  0.077  0.362  1.0
  O  O15  1  0.043  0.341  0.883  1.0
  O  O16  1  0.960  0.660  0.107  1.0
  O  O17  1  0.400  0.615  0.549  1.0
  O  O18  1  0.588  0.361  0.465  1.0
  O  O19  1  0.370  0.582  0.968  1.0
  O  O20  1  0.633  0.417  0.032  1.0
  O  O21  1  0.217  0.048  0.790  1.0
  O  O22  1  0.771  0.953  0.194  1.0
  O  O23  1  0.971  0.794  0.699  1.0
  O  O24  1  0.039  0.218  0.298  1.0
[/CIF]
.