skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on VHgO3 by Materials Project

Abstract

HgVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.93 Å. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Hg–O bond lengths are 2.73 Å. O2- is bonded in a distorted linear geometry to two equivalent V4+ and four equivalent Hg2+ atoms.

Publication Date:
Other Number(s):
mp-1016938
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; VHgO3; Hg-O-V
OSTI Identifier:
1349447
DOI:
https://doi.org/10.17188/1349447

Citation Formats

The Materials Project. Materials Data on VHgO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349447.
The Materials Project. Materials Data on VHgO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349447
The Materials Project. 2020. "Materials Data on VHgO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349447. https://www.osti.gov/servlets/purl/1349447. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1349447,
title = {Materials Data on VHgO3 by Materials Project},
author = {The Materials Project},
abstractNote = {HgVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.93 Å. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Hg–O bond lengths are 2.73 Å. O2- is bonded in a distorted linear geometry to two equivalent V4+ and four equivalent Hg2+ atoms.},
doi = {10.17188/1349447},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}