U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VP2(NO4)2 by Materials Project
Abstract
VP2(NO4)2 crystallizes in the tetragonal P4bm space group. The structure is two-dimensional and consists of one VP2(NO4)2 sheet oriented in the (0, 0, 1) direction. V4+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent PO4 tetrahedra. There is one shorter (1.61 Å) and four longer (2.03 Å) V–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one PO4 tetrahedra and corners with two equivalent VO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.50–1.66 Å. N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.34 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one N1+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1207949
- 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; VP2(NO4)2; N-O-P-V
- OSTI Identifier:
- 1676687
- DOI:
- https://doi.org/10.17188/1676687
Citation Formats
The Materials Project. Materials Data on VP2(NO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1676687.
The Materials Project. Materials Data on VP2(NO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1676687
The Materials Project. 2020.
"Materials Data on VP2(NO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1676687. https://www.osti.gov/servlets/purl/1676687. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1676687,
title = {Materials Data on VP2(NO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {VP2(NO4)2 crystallizes in the tetragonal P4bm space group. The structure is two-dimensional and consists of one VP2(NO4)2 sheet oriented in the (0, 0, 1) direction. V4+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent PO4 tetrahedra. There is one shorter (1.61 Å) and four longer (2.03 Å) V–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one PO4 tetrahedra and corners with two equivalent VO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.50–1.66 Å. N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.34 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one N1+ atom.},
doi = {10.17188/1676687},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}