KLa(NiO3)4 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms to form KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. La(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent K(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-12°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one La(1), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a distorted square co-planar geometry to one K(1), one La(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to one K(1), one La(1), and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent La(1) and two equivalent Ni(1) atoms.
KLa(NiO3)4 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms to form KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Both K(1)-O(2) bond lengths are 2.82 Å. Both K(1)-O(3) bond lengths are 2.90 Å. All K(1)-O(1) bond lengths are 2.92 Å. There are two shorter (2.72 Å) and two longer (2.75 Å) K(1)-O(4) bond lengths. La(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent K(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Both La(1)-O(2) bond lengths are 2.61 Å. Both La(1)-O(3) bond lengths are 2.59 Å. All La(1)-O(1) bond lengths are 2.56 Å. There are two shorter (2.65 Å) and two longer (2.83 Å) La(1)-O(5) bond lengths. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-12°. The Ni(1)-O(2) bond length is 1.95 Å. The Ni(1)-O(3) bond length is 1.95 Å. The Ni(1)-O(4) bond length is 1.90 Å. The Ni(1)-O(5) bond length is 1.96 Å. Both Ni(1)-O(1) bond lengths are 1.94 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one La(1), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a distorted square co-planar geometry to one K(1), one La(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to one K(1), one La(1), and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent La(1) and two equivalent Ni(1) atoms.