Materials Data on NbSeOF7 by Materials Project
NbSeOF7 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four NbSeOF7 clusters. Nb5+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Nb–O bond length is 2.19 Å. There are a spread of Nb–F bond distances ranging from 1.87–1.94 Å. Se4+ is bonded in a distorted trigonal non-coplanar geometry to one O2- and two equivalent F1- atoms. The Se–O bond length is 1.65 Å. Both Se–F bond lengths are 1.76 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one Se4+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Se4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1192776
- Report Number(s):
- mp-17921
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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