KBiO3 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second Bi site, Bi(2) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third Bi site, Bi(3) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Bi(2), and one Bi(3) atom. In the second O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(2), one Bi(2), and one Bi(3) atom. In the third O site, O(7) is bonded in a distorted water-like geometry to two equivalent K(2) and two equivalent Bi(1) atoms. In the fourth O site, O(1) is bonded to one K(1), one K(2), one Bi(1), and one Bi(3) atom to form a mixture of distorted edge and corner-sharing OK2Bi2 trigonal pyramids. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent K(2) and two equivalent Bi(3) atoms. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(2) and two equivalent Bi(2) atoms. In the seventh O site, O(4) is bonded to one K(1), one K(2), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OK2Bi2 tetrahedra.
KBiO3 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. Both K(1)-O(1) bond lengths are 2.76 Å. Both K(1)-O(4) bond lengths are 2.70 Å. Both K(1)-O(5) bond lengths are 2.70 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. The K(2)-O(1) bond length is 2.66 Å. The K(2)-O(2) bond length is 2.99 Å. The K(2)-O(3) bond length is 2.97 Å. The K(2)-O(4) bond length is 2.64 Å. The K(2)-O(6) bond length is 2.84 Å. The K(2)-O(7) bond length is 3.03 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. Both Bi(1)-O(1) bond lengths are 2.10 Å. Both Bi(1)-O(4) bond lengths are 2.14 Å. Both Bi(1)-O(7) bond lengths are 2.14 Å. In the second Bi site, Bi(2) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. The Bi(2)-O(5) bond length is 2.15 Å. The Bi(2)-O(6) bond length is 2.14 Å. Both Bi(2)-O(3) bond lengths are 2.14 Å. Both Bi(2)-O(4) bond lengths are 2.10 Å. In the third Bi site, Bi(3) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. The Bi(3)-O(5) bond length is 2.10 Å. The Bi(3)-O(6) bond length is 2.10 Å. Both Bi(3)-O(1) bond lengths are 2.15 Å. There is one shorter (2.14 Å) and one longer (2.15 Å) Bi(3)-O(2) bond length. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Bi(2), and one Bi(3) atom. In the second O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(2), one Bi(2), and one Bi(3) atom. In the third O site, O(7) is bonded in a distorted water-like geometry to two equivalent K(2) and two equivalent Bi(1) atoms. In the fourth O site, O(1) is bonded to one K(1), one K(2), one Bi(1), and one Bi(3) atom to form a mixture of distorted edge and corner-sharing OK2Bi2 trigonal pyramids. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent K(2) and two equivalent Bi(3) atoms. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(2) and two equivalent Bi(2) atoms. In the seventh O site, O(4) is bonded to one K(1), one K(2), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OK2Bi2 tetrahedra.