Materials Data on VH7N2O5 by Materials Project
Abstract
VO(O2)2NH3NH4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonium molecules and four VO(O2)2NH3 clusters. In each VO(O2)2NH3 cluster, V5+ is bonded in a 6-coordinate geometry to one N1- and five O2- atoms. The V–N bond length is 2.12 Å. There is one shorter (1.64 Å) and four longer (1.91 Å) V–O bond length. N1- is bonded in a distorted trigonal non-coplanar geometry to one V5+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. The O–O bond length is 1.47 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-744328
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; VH7N2O5; H-N-O-V
- OSTI Identifier:
- 1288226
- DOI:
- https://doi.org/10.17188/1288226
Citation Formats
The Materials Project. Materials Data on VH7N2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288226.
The Materials Project. Materials Data on VH7N2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1288226
The Materials Project. 2020.
"Materials Data on VH7N2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1288226. https://www.osti.gov/servlets/purl/1288226. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1288226,
title = {Materials Data on VH7N2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {VO(O2)2NH3NH4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonium molecules and four VO(O2)2NH3 clusters. In each VO(O2)2NH3 cluster, V5+ is bonded in a 6-coordinate geometry to one N1- and five O2- atoms. The V–N bond length is 2.12 Å. There is one shorter (1.64 Å) and four longer (1.91 Å) V–O bond length. N1- is bonded in a distorted trigonal non-coplanar geometry to one V5+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. The O–O bond length is 1.47 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom.},
doi = {10.17188/1288226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}