KLaTi4O12 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(5) 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 Ti(1)O6 octahedra. La(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) 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 Ti(1)O6 octahedra. Ti(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(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 3-15°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one La(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one La(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one K(1), one La(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Ti(1) atoms.
KLaTi4O12 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(5) 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 Ti(1)O6 octahedra. Both K(1)-O(2) bond lengths are 2.92 Å. Both K(1)-O(3) bond lengths are 2.84 Å. All K(1)-O(1) bond lengths are 2.91 Å. There are two shorter (2.72 Å) and two longer (2.78 Å) K(1)-O(5) bond lengths. La(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) 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 Ti(1)O6 octahedra. Both La(1)-O(2) bond lengths are 2.61 Å. Both La(1)-O(3) bond lengths are 2.70 Å. All La(1)-O(1) bond lengths are 2.62 Å. There are two shorter (2.69 Å) and two longer (2.81 Å) La(1)-O(4) bond lengths. Ti(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(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 3-15°. The Ti(1)-O(2) bond length is 1.96 Å. The Ti(1)-O(3) bond length is 1.95 Å. The Ti(1)-O(4) bond length is 2.05 Å. The Ti(1)-O(5) bond length is 1.89 Å. There is one shorter (1.95 Å) and one longer (1.97 Å) Ti(1)-O(1) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one La(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one La(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one K(1), one La(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Ti(1) atoms.