KLa(FeO3)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 Fe(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 Fe(1)O6 octahedra. Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(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 1-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one K(1), one La(1), and two equivalent Fe(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 Fe(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 Fe(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 Fe(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent La(1) and two equivalent Fe(1) atoms.
KLa(FeO3)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 Fe(1)O6 octahedra. Both K(1)-O(2) bond lengths are 2.82 Å. Both K(1)-O(3) bond lengths are 2.85 Å. All K(1)-O(1) bond lengths are 2.85 Å. There are two shorter (2.72 Å) and two longer (2.74 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 Fe(1)O6 octahedra. Both La(1)-O(2) bond lengths are 2.62 Å. Both La(1)-O(3) bond lengths are 2.60 Å. All La(1)-O(1) bond lengths are 2.61 Å. There are two shorter (2.70 Å) and two longer (2.76 Å) La(1)-O(5) bond lengths. Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(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 1-10°. The Fe(1)-O(2) bond length is 1.94 Å. The Fe(1)-O(3) bond length is 1.94 Å. The Fe(1)-O(4) bond length is 1.89 Å. The Fe(1)-O(5) bond length is 1.96 Å. Both Fe(1)-O(1) bond lengths are 1.93 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one K(1), one La(1), and two equivalent Fe(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 Fe(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 Fe(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 Fe(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent La(1) and two equivalent Fe(1) atoms.