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Title: Materials Data on SiHgO3 by Materials Project

Abstract

HgSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. 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 SiO6 octahedra. All Hg–O bond lengths are 2.59 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.83 Å. O2- is bonded in a distorted linear geometry to four equivalent Hg2+ and two equivalent Si4+ atoms.

Publication Date:
Other Number(s):
mp-1016874
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; SiHgO3; Hg-O-Si
OSTI Identifier:
1349467
DOI:
https://doi.org/10.17188/1349467

Citation Formats

The Materials Project. Materials Data on SiHgO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349467.
The Materials Project. Materials Data on SiHgO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349467
The Materials Project. 2020. "Materials Data on SiHgO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349467. https://www.osti.gov/servlets/purl/1349467. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1349467,
title = {Materials Data on SiHgO3 by Materials Project},
author = {The Materials Project},
abstractNote = {HgSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. 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 SiO6 octahedra. All Hg–O bond lengths are 2.59 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.83 Å. O2- is bonded in a distorted linear geometry to four equivalent Hg2+ and two equivalent Si4+ atoms.},
doi = {10.17188/1349467},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}