The structure described by LiLa4WNi3O12 crystallizes in the monoclinic P2/m space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 2-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. W(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra and corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), two equivalent La(2), one Ni(1), and one Ni(3) atom to form distorted OLa4Ni2 octahedra that share corners with six equivalent O(1)La4Ni2 octahedra, corners with two equivalent O(6)La2NiW tetrahedra, corners with two equivalent O(5)LiLa2Ni2 trigonal bipyramids, edges with four equivalent O(2)La4NiW octahedra, edges with two equivalent O(6)La2NiW tetrahedra, and edges with two equivalent O(5)LiLa2Ni2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-19°. In the second O site, O(2) is bonded to two equivalent La(1), two equivalent La(2), one W(1), and one Ni(2) atom to form OLa4NiW octahedra that share corners with six equivalent O(2)La4NiW octahedra, corners with two equivalent O(6)La2NiW tetrahedra, corners with two equivalent O(5)LiLa2Ni2 trigonal bipyramids, edges with four equivalent O(1)La4Ni2 octahedra, edges with two equivalent O(6)La2NiW tetrahedra, and edges with two equivalent O(5)LiLa2Ni2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-21°. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), two equivalent La(2), one Ni(2), and one Ni(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent La(2), one W(1), and one Ni(1) atom. In the fifth O site, O(5) is bonded to one Li(1), two equivalent La(2), one Ni(2), and one Ni(3) atom to form distorted OLiLa2Ni2 trigonal bipyramids that share corners with two equivalent O(1)La4Ni2 octahedra, corners with two equivalent O(2)La4NiW octahedra, corners with three equivalent O(5)LiLa2Ni2 trigonal bipyramids, edges with two equivalent O(1)La4Ni2 octahedra, edges with two equivalent O(2)La4NiW octahedra, and  an edgeedge with one O(5)LiLa2Ni2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 53-54°. In the sixth O site, O(6) is bonded to two equivalent La(1), one W(1), and one Ni(1) atom to form distorted OLa2NiW tetrahedra that share corners with two equivalent O(1)La4Ni2 octahedra, corners with two equivalent O(2)La4NiW octahedra, corners with two equivalent O(6)La2NiW tetrahedra, edges with two equivalent O(1)La4Ni2 octahedra, edges with two equivalent O(2)La4NiW octahedra, and  an edgeedge with one O(6)La2NiW tetrahedra. The corner-sharing octahedral tilt angles are 62°. is represented by the CIF file [CIF]
data_LiLa4Ni3WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.472
_cell_length_b   8.697
_cell_length_c   5.568
_cell_angle_alpha   90.000
_cell_angle_beta   90.168
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.991
_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
  La  La1  1  0.500  0.217  0.000  1.0
  La  La2  1  0.000  0.704  0.500  1.0
  La  La3  1  0.500  0.783  0.000  1.0
  La  La4  1  0.000  0.296  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.000  0.500  0.000  1.0
  W  W8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.000  0.241  0.000  1.0
  O  O10  1  0.500  0.763  0.500  1.0
  O  O11  1  0.280  0.500  0.224  1.0
  O  O12  1  0.799  0.000  0.679  1.0
  O  O13  1  0.207  0.500  0.704  1.0
  O  O14  1  0.676  0.000  0.178  1.0
  O  O15  1  0.000  0.759  0.000  1.0
  O  O16  1  0.500  0.237  0.500  1.0
  O  O17  1  0.720  0.500  0.776  1.0
  O  O18  1  0.201  0.000  0.321  1.0
  O  O19  1  0.793  0.500  0.296  1.0
  O  O20  1  0.324  0.000  0.822  1.0
[/CIF]
.
The structure described by LiLa4WNi3O12 crystallizes in the monoclinic P2/m space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 2-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. W(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra and corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), two equivalent La(2), one Ni(1), and one Ni(3) atom to form distorted OLa4Ni2 octahedra that share corners with six equivalent O(1)La4Ni2 octahedra, corners with two equivalent O(6)La2NiW tetrahedra, corners with two equivalent O(5)LiLa2Ni2 trigonal bipyramids, edges with four equivalent O(2)La4NiW octahedra, edges with two equivalent O(6)La2NiW tetrahedra, and edges with two equivalent O(5)LiLa2Ni2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-19°. In the second O site, O(2) is bonded to two equivalent La(1), two equivalent La(2), one W(1), and one Ni(2) atom to form OLa4NiW octahedra that share corners with six equivalent O(2)La4NiW octahedra, corners with two equivalent O(6)La2NiW tetrahedra, corners with two equivalent O(5)LiLa2Ni2 trigonal bipyramids, edges with four equivalent O(1)La4Ni2 octahedra, edges with two equivalent O(6)La2NiW tetrahedra, and edges with two equivalent O(5)LiLa2Ni2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-21°. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), two equivalent La(2), one Ni(2), and one Ni(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent La(2), one W(1), and one Ni(1) atom. In the fifth O site, O(5) is bonded to one Li(1), two equivalent La(2), one Ni(2), and one Ni(3) atom to form distorted OLiLa2Ni2 trigonal bipyramids that share corners with two equivalent O(1)La4Ni2 octahedra, corners with two equivalent O(2)La4NiW octahedra, corners with three equivalent O(5)LiLa2Ni2 trigonal bipyramids, edges with two equivalent O(1)La4Ni2 octahedra, edges with two equivalent O(2)La4NiW octahedra, and  an edgeedge with one O(5)LiLa2Ni2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 53-54°. In the sixth O site, O(6) is bonded to two equivalent La(1), one W(1), and one Ni(1) atom to form distorted OLa2NiW tetrahedra that share corners with two equivalent O(1)La4Ni2 octahedra, corners with two equivalent O(2)La4NiW octahedra, corners with two equivalent O(6)La2NiW tetrahedra, edges with two equivalent O(1)La4Ni2 octahedra, edges with two equivalent O(2)La4NiW octahedra, and  an edgeedge with one O(6)La2NiW tetrahedra. The corner-sharing octahedral tilt angles are 62°. is represented by the CIF file [CIF]
data_LiLa4Ni3WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.472
_cell_length_b   8.697
_cell_length_c   5.568
_cell_angle_alpha   90.000
_cell_angle_beta   90.168
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.991
_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
  La  La1  1  0.500  0.217  0.000  1.0
  La  La2  1  0.000  0.704  0.500  1.0
  La  La3  1  0.500  0.783  0.000  1.0
  La  La4  1  0.000  0.296  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Ni  Ni7  1  0.000  0.500  0.000  1.0
  W  W8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.000  0.241  0.000  1.0
  O  O10  1  0.500  0.763  0.500  1.0
  O  O11  1  0.280  0.500  0.224  1.0
  O  O12  1  0.799  0.000  0.679  1.0
  O  O13  1  0.207  0.500  0.704  1.0
  O  O14  1  0.676  0.000  0.178  1.0
  O  O15  1  0.000  0.759  0.000  1.0
  O  O16  1  0.500  0.237  0.500  1.0
  O  O17  1  0.720  0.500  0.776  1.0
  O  O18  1  0.201  0.000  0.321  1.0
  O  O19  1  0.793  0.500  0.296  1.0
  O  O20  1  0.324  0.000  0.822  1.0
[/CIF]
.