KTeOF3 crystallizes in the tetragonal P4_2/n space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to four equivalent F(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. In the third K site, K(3) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Te(1) is bonded to two equivalent O(1), one F(1), one F(2), and one F(3) atom to form edge-sharing TeO2F3 square pyramids. O(1) is bonded in a 3-coordinate geometry to one K(3) and two equivalent Te(1) atoms. There are three inequivalent F sites. In the first F site, F(3) is bonded in a water-like geometry to one K(3) and one Te(1) atom. In the second F site, F(1) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one Te(1) atom. In the third F site, F(2) is bonded to one K(1), one K(2), one K(3), and one Te(1) atom to form a mixture of distorted edge and corner-sharing FK3Te tetrahedra.
KTeOF3 crystallizes in the tetragonal P4_2/n space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to four equivalent F(2) atoms. All K(1)-F(2) bond lengths are 2.69 Å. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. All K(2)-F(1) bond lengths are 2.74 Å. All K(2)-F(2) bond lengths are 2.85 Å. In the third K site, K(3) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Both K(3)-O(1) bond lengths are 2.82 Å. Both K(3)-F(1) bond lengths are 2.85 Å. Both K(3)-F(2) bond lengths are 2.72 Å. Both K(3)-F(3) bond lengths are 2.88 Å. Te(1) is bonded to two equivalent O(1), one F(1), one F(2), and one F(3) atom to form edge-sharing TeO2F3 square pyramids. There is one shorter (1.93 Å) and one longer (2.09 Å) Te(1)-O(1) bond length. The Te(1)-F(1) bond length is 2.04 Å. The Te(1)-F(2) bond length is 2.11 Å. The Te(1)-F(3) bond length is 2.04 Å. O(1) is bonded in a 3-coordinate geometry to one K(3) and two equivalent Te(1) atoms. There are three inequivalent F sites. In the first F site, F(3) is bonded in a water-like geometry to one K(3) and one Te(1) atom. In the second F site, F(1) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one Te(1) atom. In the third F site, F(2) is bonded to one K(1), one K(2), one K(3), and one Te(1) atom to form a mixture of distorted edge and corner-sharing FK3Te tetrahedra.