KSiO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Si(2) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Si(2) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(2) and one Si(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Si(1), and one Si(2) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Si(1), and one Si(2) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Si(1) atom.
KSiO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. The K(1)-O(2) bond length is 2.94 Å. The K(1)-O(3) bond length is 2.97 Å. The K(1)-O(5) bond length is 2.82 Å. The K(1)-O(6) bond length is 2.81 Å. There is one shorter (3.14 Å) and one longer (3.17 Å) K(1)-O(4) bond length. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. The K(2)-O(2) bond length is 3.28 Å. The K(2)-O(3) bond length is 3.24 Å. The K(2)-O(5) bond length is 2.66 Å. The K(2)-O(6) bond length is 2.67 Å. There is one shorter (2.60 Å) and one longer (2.82 Å) K(2)-O(1) bond length. There is one shorter (2.95 Å) and one longer (3.05 Å) K(2)-O(4) bond length. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. The Si(1)-O(1) bond length is 1.62 Å. The Si(1)-O(2) bond length is 1.66 Å. The Si(1)-O(3) bond length is 1.66 Å. The Si(1)-O(4) bond length is 1.62 Å. In the second Si site, Si(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. The Si(2)-O(2) bond length is 1.66 Å. The Si(2)-O(3) bond length is 1.66 Å. The Si(2)-O(5) bond length is 1.62 Å. The Si(2)-O(6) bond length is 1.62 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Si(2) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Si(2) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(2) and one Si(1) atom. In the fourth O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Si(1), and one Si(2) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Si(1), and one Si(2) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Si(1) atom.