KNbO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. K(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form KO12 cuboctahedra that share corners with twelve equivalent K(1)O12 cuboctahedra, faces with six equivalent K(1)O12 cuboctahedra, and faces with eight equivalent Nb(1)O6 octahedra. Nb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and faces with eight equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to four equivalent K(1) and two equivalent Nb(1) atoms to form a mixture of distorted edge and corner-sharing OK4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.
KNbO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. K(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form KO12 cuboctahedra that share corners with twelve equivalent K(1)O12 cuboctahedra, faces with six equivalent K(1)O12 cuboctahedra, and faces with eight equivalent Nb(1)O6 octahedra. All K(1)-O(2) bond lengths are 2.84 Å. There are four shorter (2.80 Å) and four longer (2.95 Å) K(1)-O(1) bond lengths. Nb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and faces with eight equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There is one shorter (1.88 Å) and one longer (2.23 Å) Nb(1)-O(2) bond length. All Nb(1)-O(1) bond lengths are 2.01 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to four equivalent K(1) and two equivalent Nb(1) atoms to form a mixture of distorted edge and corner-sharing OK4Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.