The crystal structure described by Li3Cu2(WO4)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(3), one O(4), and one O(6) atom to form distorted LiO5 square pyramids that share  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one W(3)O6 octahedra,  a cornercorner with one W(4)O6 octahedra, corners with two equivalent W(1)O6 octahedra, and  an edgeedge with one W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the second Li site, Li(2) is bonded to one O(11), one O(15), one O(16), one O(2), and one O(5) atom to form distorted LiO5 square pyramids that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one W(3)O6 octahedra, corners with two equivalent W(4)O6 octahedra,  an edgeedge with one W(2)O6 octahedra, and  an edgeedge with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 39-58°. In the third Li site, Li(3) is bonded to one O(11), one O(14), one O(16), one O(8), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(3)O6 octahedra,  a cornercorner with one W(4)O6 octahedra, corners with two equivalent W(2)O6 octahedra,  an edgeedge with one W(4)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 41-57°. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(12), one O(13), one O(15), one O(3), and one O(9) atom to form distorted WO6 octahedra that share  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid, corners with two equivalent Li(1)O5 square pyramids,  an edgeedge with one W(3)O6 octahedra, and  an edgeedge with one W(4)O6 octahedra. In the second W site, W(2) is bonded to one O(10), one O(16), one O(2), one O(5), one O(7), and one O(8) atom to form distorted WO6 octahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid, corners with two equivalent Li(3)O5 square pyramids,  an edgeedge with one W(3)O6 octahedra,  an edgeedge with one W(4)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. In the third W site, W(3) is bonded to one O(10), one O(13), one O(14), one O(3), one O(4), and one O(5) atom to form distorted WO6 octahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid,  an edgeedge with one W(1)O6 octahedra,  an edgeedge with one W(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. In the fourth W site, W(4) is bonded to one O(11), one O(12), one O(2), one O(6), one O(8), and one O(9) atom to form WO6 octahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one W(1)O6 octahedra,  an edgeedge with one W(2)O6 octahedra, and  an edgeedge with one Li(3)O5 square pyramid. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to one O(1), one O(11), one O(14), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(15), one O(16), one O(4), and one O(6) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one W(2), and one W(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one W(3) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1), one W(3), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one W(2), and one W(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one W(4), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one W(2) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(3), one W(2), and one W(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one W(1), and one W(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one W(2), and one W(3) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one W(4), and one Cu(1) atom to form edge-sharing OLi2CuW trigonal pyramids. In the twelfth O site, O(12) is bonded in a water-like geometry to one W(1) and one W(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one W(1), one W(3), and one Cu(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(3), one W(3), and one Cu(1) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(2), one W(1), and one Cu(2) atom. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(3), one W(2), and one Cu(2) atom to form edge-sharing OLi2CuW trigonal pyramids. is represented by the CIF card [CIF]
data_Li3Cu2(WO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.901
_cell_length_b   6.874
_cell_length_c   8.162
_cell_angle_alpha   70.608
_cell_angle_beta   77.761
_cell_angle_gamma   71.055
_symmetry_Int_Tables_number   1
_cell_volume   293.363
_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  0.934  0.654  0.131  1.0
  Li  Li1  1  0.064  0.347  0.873  1.0
  Li  Li2  1  0.436  0.144  0.626  1.0
  Cu  Cu3  1  0.002  0.496  0.499  1.0
  Cu  Cu4  1  0.501  0.005  0.007  1.0
  W  W5  1  0.969  0.041  0.299  1.0
  W  W6  1  0.477  0.549  0.796  1.0
  W  W7  1  0.527  0.455  0.203  1.0
  W  W8  1  0.024  0.952  0.698  1.0
  O  O9  1  0.981  0.759  0.321  1.0
  O  O10  1  0.142  0.638  0.722  1.0
  O  O11  1  0.853  0.364  0.280  1.0
  O  O12  1  0.535  0.735  0.170  1.0
  O  O13  1  0.718  0.485  0.941  1.0
  O  O14  1  0.832  0.912  0.914  1.0
  O  O15  1  0.675  0.579  0.591  1.0
  O  O16  1  0.355  0.861  0.776  1.0
  O  O17  1  0.776  0.015  0.558  1.0
  O  O18  1  0.285  0.515  0.056  1.0
  O  O19  1  0.039  0.232  0.681  1.0
  O  O20  1  0.201  0.994  0.446  1.0
  O  O21  1  0.651  0.144  0.211  1.0
  O  O22  1  0.336  0.402  0.416  1.0
  O  O23  1  0.164  0.094  0.086  1.0
  O  O24  1  0.458  0.266  0.823  1.0
[/CIF]
.
The crystal structure described by Li3Cu2(WO4)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(3), one O(4), and one O(6) atom to form distorted LiO5 square pyramids that share  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one W(3)O6 octahedra,  a cornercorner with one W(4)O6 octahedra, corners with two equivalent W(1)O6 octahedra, and  an edgeedge with one W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the second Li site, Li(2) is bonded to one O(11), one O(15), one O(16), one O(2), and one O(5) atom to form distorted LiO5 square pyramids that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(2)O6 octahedra,  a cornercorner with one W(3)O6 octahedra, corners with two equivalent W(4)O6 octahedra,  an edgeedge with one W(2)O6 octahedra, and  an edgeedge with one Li(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 39-58°. In the third Li site, Li(3) is bonded to one O(11), one O(14), one O(16), one O(8), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one W(1)O6 octahedra,  a cornercorner with one W(3)O6 octahedra,  a cornercorner with one W(4)O6 octahedra, corners with two equivalent W(2)O6 octahedra,  an edgeedge with one W(4)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 41-57°. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(12), one O(13), one O(15), one O(3), and one O(9) atom to form distorted WO6 octahedra that share  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid, corners with two equivalent Li(1)O5 square pyramids,  an edgeedge with one W(3)O6 octahedra, and  an edgeedge with one W(4)O6 octahedra. In the second W site, W(2) is bonded to one O(10), one O(16), one O(2), one O(5), one O(7), and one O(8) atom to form distorted WO6 octahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid, corners with two equivalent Li(3)O5 square pyramids,  an edgeedge with one W(3)O6 octahedra,  an edgeedge with one W(4)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. In the third W site, W(3) is bonded to one O(10), one O(13), one O(14), one O(3), one O(4), and one O(5) atom to form distorted WO6 octahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid,  an edgeedge with one W(1)O6 octahedra,  an edgeedge with one W(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. In the fourth W site, W(4) is bonded to one O(11), one O(12), one O(2), one O(6), one O(8), and one O(9) atom to form WO6 octahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(3)O5 square pyramid, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one W(1)O6 octahedra,  an edgeedge with one W(2)O6 octahedra, and  an edgeedge with one Li(3)O5 square pyramid. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to one O(1), one O(11), one O(14), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(15), one O(16), one O(4), and one O(6) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one W(2), and one W(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one W(3) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1), one W(3), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one W(2), and one W(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one W(4), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one W(2) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(3), one W(2), and one W(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one W(1), and one W(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one W(2), and one W(3) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one W(4), and one Cu(1) atom to form edge-sharing OLi2CuW trigonal pyramids. In the twelfth O site, O(12) is bonded in a water-like geometry to one W(1) and one W(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one W(1), one W(3), and one Cu(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(3), one W(3), and one Cu(1) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(2), one W(1), and one Cu(2) atom. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(3), one W(2), and one Cu(2) atom to form edge-sharing OLi2CuW trigonal pyramids. is represented by the CIF card [CIF]
data_Li3Cu2(WO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.901
_cell_length_b   6.874
_cell_length_c   8.162
_cell_angle_alpha   70.608
_cell_angle_beta   77.761
_cell_angle_gamma   71.055
_symmetry_Int_Tables_number   1
_cell_volume   293.363
_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  0.934  0.654  0.131  1.0
  Li  Li1  1  0.064  0.347  0.873  1.0
  Li  Li2  1  0.436  0.144  0.626  1.0
  Cu  Cu3  1  0.002  0.496  0.499  1.0
  Cu  Cu4  1  0.501  0.005  0.007  1.0
  W  W5  1  0.969  0.041  0.299  1.0
  W  W6  1  0.477  0.549  0.796  1.0
  W  W7  1  0.527  0.455  0.203  1.0
  W  W8  1  0.024  0.952  0.698  1.0
  O  O9  1  0.981  0.759  0.321  1.0
  O  O10  1  0.142  0.638  0.722  1.0
  O  O11  1  0.853  0.364  0.280  1.0
  O  O12  1  0.535  0.735  0.170  1.0
  O  O13  1  0.718  0.485  0.941  1.0
  O  O14  1  0.832  0.912  0.914  1.0
  O  O15  1  0.675  0.579  0.591  1.0
  O  O16  1  0.355  0.861  0.776  1.0
  O  O17  1  0.776  0.015  0.558  1.0
  O  O18  1  0.285  0.515  0.056  1.0
  O  O19  1  0.039  0.232  0.681  1.0
  O  O20  1  0.201  0.994  0.446  1.0
  O  O21  1  0.651  0.144  0.211  1.0
  O  O22  1  0.336  0.402  0.416  1.0
  O  O23  1  0.164  0.094  0.086  1.0
  O  O24  1  0.458  0.266  0.823  1.0
[/CIF]
.