Materials Data on K3VC5N5O by Materials Project
K3VC5N5O crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to three N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.88–2.98 Å. The K–O bond length is 2.97 Å. In the second K1+ site, K1+ is bonded in an octahedral geometry to five N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.85–3.02 Å. The K–O bond length is 2.82 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to six N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.90–3.29 Å. The K–O bond length is 3.20 Å. V2+ is bonded in a single-bond geometry to one O2- atom. The V–O bond length is 1.68 Å. There are five inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.40+ site, C+2.40+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C+2.40+ site, C+2.40+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the fourth C+2.40+ site, C+2.40+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the fifth C+2.40+ site, C+2.40+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to three K1+ and one C+2.40+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four K1+ and one C+2.40+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C+2.40+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one C+2.40+ atom. In the fifth N3- site, N3- is bonded in a distorted single-bond geometry to two K1+ and one C+2.40+ atom. O2- is bonded in a distorted single-bond geometry to three K1+ and one V2+ atom.