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Title: Materials Data on ZrHgO3 by Materials Project

Abstract

ZrHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.09 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 ZrO6 octahedra. All Hg–O bond lengths are 2.96 Å. O2- is bonded in a linear geometry to two equivalent Zr4+ and four equivalent Hg2+ atoms.

Publication Date:
Other Number(s):
mp-1016871
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; ZrHgO3; Hg-O-Zr
OSTI Identifier:
1349460
DOI:
https://doi.org/10.17188/1349460

Citation Formats

The Materials Project. Materials Data on ZrHgO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349460.
The Materials Project. Materials Data on ZrHgO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349460
The Materials Project. 2020. "Materials Data on ZrHgO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349460. https://www.osti.gov/servlets/purl/1349460. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1349460,
title = {Materials Data on ZrHgO3 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.09 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 ZrO6 octahedra. All Hg–O bond lengths are 2.96 Å. O2- is bonded in a linear geometry to two equivalent Zr4+ and four equivalent Hg2+ atoms.},
doi = {10.17188/1349460},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}