The material described by Li3W is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(1), four equivalent Li(2), and four equivalent W(1) atoms to form distorted LiLi8W4 cuboctahedra that share corners with twelve equivalent Li(1)Li8W4 cuboctahedra, edges with eight equivalent Li(1)Li8W4 cuboctahedra, edges with eight equivalent W(1)Li12 cuboctahedra, faces with four equivalent W(1)Li12 cuboctahedra, and faces with ten equivalent Li(1)Li8W4 cuboctahedra. In the second Li site, Li(2) is bonded in a square co-planar geometry to eight equivalent Li(1) and four equivalent W(1) atoms. W(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form WLi12 cuboctahedra that share corners with four equivalent W(1)Li12 cuboctahedra, edges with eight equivalent W(1)Li12 cuboctahedra, edges with sixteen equivalent Li(1)Li8W4 cuboctahedra, faces with four equivalent W(1)Li12 cuboctahedra, and faces with eight equivalent Li(1)Li8W4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   5.154
_cell_angle_alpha   136.502
_cell_angle_beta   136.502
_cell_angle_gamma   63.205
_symmetry_Int_Tables_number   1
_cell_volume   64.044
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  W  W3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Li3W is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(1), four equivalent Li(2), and four equivalent W(1) atoms to form distorted LiLi8W4 cuboctahedra that share corners with twelve equivalent Li(1)Li8W4 cuboctahedra, edges with eight equivalent Li(1)Li8W4 cuboctahedra, edges with eight equivalent W(1)Li12 cuboctahedra, faces with four equivalent W(1)Li12 cuboctahedra, and faces with ten equivalent Li(1)Li8W4 cuboctahedra. In the second Li site, Li(2) is bonded in a square co-planar geometry to eight equivalent Li(1) and four equivalent W(1) atoms. W(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form WLi12 cuboctahedra that share corners with four equivalent W(1)Li12 cuboctahedra, edges with eight equivalent W(1)Li12 cuboctahedra, edges with sixteen equivalent Li(1)Li8W4 cuboctahedra, faces with four equivalent W(1)Li12 cuboctahedra, and faces with eight equivalent Li(1)Li8W4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   5.154
_cell_angle_alpha   136.502
_cell_angle_beta   136.502
_cell_angle_gamma   63.205
_symmetry_Int_Tables_number   1
_cell_volume   64.044
_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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  W  W3  1  0.000  0.000  0.000  1.0
[/CIF]
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