La5Re3NiO16 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form ReO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. In the second Re site, Re(2) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form ReO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra and  an edgeedge with one Re(2)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Ni(1) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Re(2)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Re(2) atoms. In the second O site, O(2) is bonded to one La(1), one La(2), one La(3), and one Re(2) atom to form OLa3Re tetrahedra that share  a cornercorner with one O(2)La3Re tetrahedra and corners with three equivalent O(3)La2ReNi tetrahedra. In the third O site, O(3) is bonded to one La(2), one La(3), one Re(2), and one Ni(1) atom to form distorted OLa2ReNi tetrahedra that share  a cornercorner with one O(3)La2ReNi tetrahedra and corners with three equivalent O(2)La3Re tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), one La(3), and one Re(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(3), and one Re(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(3), and one Re(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent La(2), one Re(1), and one Ni(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(3), one Re(1), and one Ni(1) atom.
La5Re3NiO16 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Both La(1)-O(1) bond lengths are 2.60 Å. Both La(1)-O(2) bond lengths are 2.41 Å. Both La(1)-O(5) bond lengths are 2.58 Å. Both La(1)-O(6) bond lengths are 2.57 Å. In the second La site, La(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. The La(2)-O(2) bond length is 2.43 Å. The La(2)-O(3) bond length is 2.44 Å. The La(2)-O(4) bond length is 2.52 Å. The La(2)-O(5) bond length is 2.67 Å. The La(2)-O(6) bond length is 2.65 Å. There is one shorter (2.52 Å) and one longer (2.53 Å) La(2)-O(7) bond length. In the third La site, La(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. The La(3)-O(2) bond length is 2.47 Å. The La(3)-O(3) bond length is 2.42 Å. The La(3)-O(4) bond length is 2.44 Å. The La(3)-O(5) bond length is 2.53 Å. The La(3)-O(6) bond length is 2.58 Å. The La(3)-O(8) bond length is 2.43 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form ReO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. Both Re(1)-O(4) bond lengths are 1.93 Å. Both Re(1)-O(7) bond lengths are 2.04 Å. Both Re(1)-O(8) bond lengths are 1.99 Å. In the second Re site, Re(2) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form ReO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra and  an edgeedge with one Re(2)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. The Re(2)-O(2) bond length is 1.97 Å. The Re(2)-O(3) bond length is 2.11 Å. The Re(2)-O(5) bond length is 1.94 Å. The Re(2)-O(6) bond length is 1.93 Å. There is one shorter (1.98 Å) and one longer (2.07 Å) Re(2)-O(1) bond length. Ni(1) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Re(2)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. Both Ni(1)-O(3) bond lengths are 2.09 Å. Both Ni(1)-O(7) bond lengths are 2.10 Å. Both Ni(1)-O(8) bond lengths are 2.16 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Re(2) atoms. In the second O site, O(2) is bonded to one La(1), one La(2), one La(3), and one Re(2) atom to form OLa3Re tetrahedra that share  a cornercorner with one O(2)La3Re tetrahedra and corners with three equivalent O(3)La2ReNi tetrahedra. In the third O site, O(3) is bonded to one La(2), one La(3), one Re(2), and one Ni(1) atom to form distorted OLa2ReNi tetrahedra that share  a cornercorner with one O(3)La2ReNi tetrahedra and corners with three equivalent O(2)La3Re tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), one La(3), and one Re(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(3), and one Re(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(3), and one Re(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent La(2), one Re(1), and one Ni(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(3), one Re(1), and one Ni(1) atom.