KNbB2O6 crystallizes in the orthorhombic Pmn2_1 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Nb(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to one K(1), one Nb(1), and one B(1) atom.
KNbB2O6 crystallizes in the orthorhombic Pmn2_1 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. There is one shorter (3.09 Å) and one longer (3.32 Å) K(1)-O(2) bond length. Both K(1)-O(4) bond lengths are 3.26 Å. There are two shorter (3.12 Å) and two longer (3.20 Å) K(1)-O(1) bond lengths. Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. Both Nb(1)-O(1) bond lengths are 2.06 Å. There is one shorter (1.82 Å) and one longer (2.16 Å) Nb(1)-O(3) bond length. Both Nb(1)-O(4) bond lengths are 1.98 Å. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. The B(1)-O(1) bond length is 1.36 Å. The B(1)-O(2) bond length is 1.41 Å. The B(1)-O(4) bond length is 1.36 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Nb(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to one K(1), one Nb(1), and one B(1) atom.