KZr4BiO12 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) 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 9-53°. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one K(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent Zr(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Zr(1) and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zr(1) and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Zr(1) atoms.
KZr4BiO12 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Both K(1)-O(2) bond lengths are 3.18 Å. All K(1)-O(1) bond lengths are 2.60 Å. There are two shorter (2.88 Å) and two longer (2.89 Å) K(1)-O(5) bond lengths. 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 9-53°. The Zr(1)-O(2) bond length is 2.19 Å. The Zr(1)-O(3) bond length is 2.19 Å. The Zr(1)-O(4) bond length is 2.22 Å. The Zr(1)-O(5) bond length is 2.07 Å. There is one shorter (2.06 Å) and one longer (2.07 Å) Zr(1)-O(1) bond length. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Bi(1)-O(2) bond lengths are 2.29 Å. Both Bi(1)-O(3) bond lengths are 2.26 Å. Both Bi(1)-O(4) bond lengths are 2.13 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one K(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent Zr(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Zr(1) and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zr(1) and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Zr(1) atoms.