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Title: Materials Data on HfHgO3 by Materials Project

Abstract

HfHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.06 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 HfO6 octahedra. All Hg–O bond lengths are 2.92 Å. O2- is bonded in a linear geometry to two equivalent Hf4+ and four equivalent Hg2+ atoms.

Publication Date:
Other Number(s):
mp-1016841
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; HfHgO3; Hf-Hg-O
OSTI Identifier:
1349448
DOI:
https://doi.org/10.17188/1349448

Citation Formats

The Materials Project. Materials Data on HfHgO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349448.
The Materials Project. Materials Data on HfHgO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349448
The Materials Project. 2020. "Materials Data on HfHgO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349448. https://www.osti.gov/servlets/purl/1349448. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1349448,
title = {Materials Data on HfHgO3 by Materials Project},
author = {The Materials Project},
abstractNote = {HfHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.06 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 HfO6 octahedra. All Hg–O bond lengths are 2.92 Å. O2- is bonded in a linear geometry to two equivalent Hf4+ and four equivalent Hg2+ atoms.},
doi = {10.17188/1349448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}