The compound described by Li4WCu3O8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, 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 six equivalent W(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with six equivalent Cu(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Cu(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the third Cu site, Cu(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi3Cu3 octahedra that share corners with six equivalent O(1)Li3Cu3 octahedra, edges with four equivalent O(2)Li3Cu2W octahedra, edges with four equivalent O(3)Li3Cu2W octahedra, and edges with four equivalent O(4)Li3Cu2W octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), one W(1), one Cu(2), and one Cu(3) atom to form distorted OLi3Cu2W octahedra that share corners with six equivalent O(2)Li3Cu2W octahedra, edges with four equivalent O(3)Li3Cu2W octahedra, edges with four equivalent O(4)Li3Cu2W octahedra, and edges with four equivalent O(1)Li3Cu3 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one W(1), one Cu(1), and one Cu(3) atom to form distorted OLi3Cu2W octahedra that share corners with six equivalent O(3)Li3Cu2W octahedra, edges with four equivalent O(2)Li3Cu2W octahedra, edges with four equivalent O(4)Li3Cu2W octahedra, and edges with four equivalent O(1)Li3Cu3 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one W(1), one Cu(1), and one Cu(2) atom to form distorted OLi3Cu2W octahedra that share corners with six equivalent O(4)Li3Cu2W octahedra, edges with four equivalent O(2)Li3Cu2W octahedra, edges with four equivalent O(3)Li3Cu2W octahedra, and edges with four equivalent O(1)Li3Cu3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li4Cu3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.709
_cell_length_b   5.849
_cell_length_c   5.902
_cell_angle_alpha   117.331
_cell_angle_beta   114.744
_cell_angle_gamma   93.415
_symmetry_Int_Tables_number   1
_cell_volume   151.075
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.500  0.000  0.000  1.0
  Li  Li3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.252  0.713  0.441  1.0
  O  O9  1  0.761  0.801  0.041  1.0
  O  O10  1  0.233  0.211  0.436  1.0
  O  O11  1  0.748  0.287  0.559  1.0
  O  O12  1  0.794  0.254  0.042  1.0
  O  O13  1  0.239  0.199  0.959  1.0
  O  O14  1  0.767  0.789  0.564  1.0
  O  O15  1  0.206  0.746  0.958  1.0
[/CIF]
.
The compound described by Li4WCu3O8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, 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 six equivalent W(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with six equivalent Cu(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Cu(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the third Cu site, Cu(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi3Cu3 octahedra that share corners with six equivalent O(1)Li3Cu3 octahedra, edges with four equivalent O(2)Li3Cu2W octahedra, edges with four equivalent O(3)Li3Cu2W octahedra, and edges with four equivalent O(4)Li3Cu2W octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), one W(1), one Cu(2), and one Cu(3) atom to form distorted OLi3Cu2W octahedra that share corners with six equivalent O(2)Li3Cu2W octahedra, edges with four equivalent O(3)Li3Cu2W octahedra, edges with four equivalent O(4)Li3Cu2W octahedra, and edges with four equivalent O(1)Li3Cu3 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one W(1), one Cu(1), and one Cu(3) atom to form distorted OLi3Cu2W octahedra that share corners with six equivalent O(3)Li3Cu2W octahedra, edges with four equivalent O(2)Li3Cu2W octahedra, edges with four equivalent O(4)Li3Cu2W octahedra, and edges with four equivalent O(1)Li3Cu3 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one W(1), one Cu(1), and one Cu(2) atom to form distorted OLi3Cu2W octahedra that share corners with six equivalent O(4)Li3Cu2W octahedra, edges with four equivalent O(2)Li3Cu2W octahedra, edges with four equivalent O(3)Li3Cu2W octahedra, and edges with four equivalent O(1)Li3Cu3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li4Cu3WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.709
_cell_length_b   5.849
_cell_length_c   5.902
_cell_angle_alpha   117.331
_cell_angle_beta   114.744
_cell_angle_gamma   93.415
_symmetry_Int_Tables_number   1
_cell_volume   151.075
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.500  0.000  0.000  1.0
  Li  Li3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.252  0.713  0.441  1.0
  O  O9  1  0.761  0.801  0.041  1.0
  O  O10  1  0.233  0.211  0.436  1.0
  O  O11  1  0.748  0.287  0.559  1.0
  O  O12  1  0.794  0.254  0.042  1.0
  O  O13  1  0.239  0.199  0.959  1.0
  O  O14  1  0.767  0.789  0.564  1.0
  O  O15  1  0.206  0.746  0.958  1.0
[/CIF]
.