KO13Sb5 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the second Sb site, Sb(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the third Sb site, Sb(3) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Sb(3) atoms. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one Sb(3) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Sb(2), and one Sb(3) atom. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Sb(2) and two equivalent Sb(1) atoms. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one Sb(3) atom. In the seventh O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one Sb(3) atom.
KO13Sb5 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. The K(1)-O(1) bond length is 2.82 Å. Both K(1)-O(3) bond lengths are 2.65 Å. Both K(1)-O(5) bond lengths are 2.71 Å. Both K(1)-O(6) bond lengths are 2.73 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. The Sb(1)-O(2) bond length is 1.94 Å. The Sb(1)-O(5) bond length is 1.92 Å. The Sb(1)-O(6) bond length is 1.92 Å. The Sb(1)-O(7) bond length is 2.05 Å. There is one shorter (2.07 Å) and one longer (2.08 Å) Sb(1)-O(4) bond length. In the second Sb site, Sb(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. Both Sb(2)-O(3) bond lengths are 1.91 Å. Both Sb(2)-O(4) bond lengths are 2.05 Å. Both Sb(2)-O(7) bond lengths are 2.03 Å. In the third Sb site, Sb(3) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. The Sb(3)-O(1) bond length is 1.93 Å. The Sb(3)-O(2) bond length is 1.93 Å. The Sb(3)-O(3) bond length is 1.99 Å. The Sb(3)-O(5) bond length is 1.96 Å. The Sb(3)-O(6) bond length is 1.96 Å. The Sb(3)-O(7) bond length is 2.16 Å. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Sb(3) atoms. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one Sb(3) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Sb(2), and one Sb(3) atom. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Sb(2) and two equivalent Sb(1) atoms. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one Sb(3) atom. In the seventh O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one Sb(3) atom.