La3WNi(SO2)3 crystallizes in the hexagonal P6_3/m space group. La(1) is bonded in a 10-coordinate geometry to four equivalent S(1) and six equivalent O(1) atoms. W(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. Ni(1) is bonded to six equivalent S(1) atoms to form face-sharing NiS6 octahedra. S(1) is bonded to four equivalent La(1) and two equivalent Ni(1) atoms to form distorted SLa4Ni2 octahedra that share corners with four equivalent S(1)La4Ni2 octahedra, corners with sixteen equivalent O(1)La3W tetrahedra, edges with four equivalent O(1)La3W tetrahedra, and faces with six equivalent S(1)La4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. O(1) is bonded to three equivalent La(1) and one W(1) atom to form OLa3W tetrahedra that share corners with eight equivalent S(1)La4Ni2 octahedra, corners with ten equivalent O(1)La3W tetrahedra, edges with two equivalent S(1)La4Ni2 octahedra, and edges with five equivalent O(1)La3W tetrahedra. The corner-sharing octahedral tilt angles range from 23-99°.
La3WNi(SO2)3 crystallizes in the hexagonal P6_3/m space group. La(1) is bonded in a 10-coordinate geometry to four equivalent S(1) and six equivalent O(1) atoms. There are a spread of La(1)-S(1) bond distances ranging from 3.00-3.18 Å. There are a spread of La(1)-O(1) bond distances ranging from 2.45-2.72 Å. W(1) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(1) atoms. All W(1)-O(1) bond lengths are 1.97 Å. Ni(1) is bonded to six equivalent S(1) atoms to form face-sharing NiS6 octahedra. All Ni(1)-S(1) bond lengths are 2.39 Å. S(1) is bonded to four equivalent La(1) and two equivalent Ni(1) atoms to form distorted SLa4Ni2 octahedra that share corners with four equivalent S(1)La4Ni2 octahedra, corners with sixteen equivalent O(1)La3W tetrahedra, edges with four equivalent O(1)La3W tetrahedra, and faces with six equivalent S(1)La4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. O(1) is bonded to three equivalent La(1) and one W(1) atom to form OLa3W tetrahedra that share corners with eight equivalent S(1)La4Ni2 octahedra, corners with ten equivalent O(1)La3W tetrahedra, edges with two equivalent S(1)La4Ni2 octahedra, and edges with five equivalent O(1)La3W tetrahedra. The corner-sharing octahedral tilt angles range from 23-99°.