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Title: Materials Data on V(PO3)2 by Materials Project

Abstract

V(PO3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two V(PO3)2 ribbons oriented in the (1, 0, 1) direction. V2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.00 Å. P5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.52 Å) and one longer (1.54 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V2+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one V2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1188729
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; V(PO3)2; O-P-V
OSTI Identifier:
1733194
DOI:
https://doi.org/10.17188/1733194

Citation Formats

The Materials Project. Materials Data on V(PO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1733194.
The Materials Project. Materials Data on V(PO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1733194
The Materials Project. 2020. "Materials Data on V(PO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1733194. https://www.osti.gov/servlets/purl/1733194. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1733194,
title = {Materials Data on V(PO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {V(PO3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two V(PO3)2 ribbons oriented in the (1, 0, 1) direction. V2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.00 Å. P5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.52 Å) and one longer (1.54 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V2+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one V2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V2+ atom.},
doi = {10.17188/1733194},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}