KLaZr4O12 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. Zr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 10-24°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one K(1) and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Zr(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Zr(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Zr(1) atoms.
KLaZr4O12 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. Both K(1)-O(2) bond lengths are 2.72 Å. There are two shorter (2.76 Å) and two longer (3.10 Å) K(1)-O(4) bond lengths. La(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. Both La(1)-O(3) bond lengths are 2.61 Å. Both La(1)-O(5) bond lengths are 2.64 Å. All La(1)-O(1) bond lengths are 2.57 Å. Zr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 10-24°. The Zr(1)-O(2) bond length is 2.07 Å. The Zr(1)-O(3) bond length is 2.15 Å. The Zr(1)-O(4) bond length is 2.05 Å. The Zr(1)-O(5) bond length is 2.21 Å. There is one shorter (2.11 Å) and one longer (2.12 Å) Zr(1)-O(1) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one K(1) and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Zr(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Zr(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Zr(1) atoms.