Materials Data on NbIO2 by Materials Project
NbO2I crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two NbO2I sheets oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 5-coordinate geometry to five O2- and two equivalent I1- atoms. There are a spread of Nb–O bond distances ranging from 1.81–2.20 Å. Both Nb–I bond lengths are 2.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Nb5+ and one I1- atom. The O–I bond length is 3.02 Å. I1- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one O2- 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:
- 1269955
- Report Number(s):
- mp-557685
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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