Title: Materials Data on Ca3Hg by Materials Project

Abstract

Ca3Hg is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 2-coordinate geometry to three equivalent Hg atoms. There are a spread of Ca–Hg bond distances ranging from 3.16–3.56 Å. In the second Ca site, Ca is bonded in a distorted bent 150 degrees geometry to two equivalent Hg atoms. There are one shorter (3.11 Å) and one longer (3.15 Å) Ca–Hg bond lengths. Hg is bonded in a 8-coordinate geometry to eight Ca atoms.

Publication Date:
Other Number(s):
mp-1105761
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Ca-Hg; Ca3Hg; crystal structure
OSTI Identifier:
1677007
DOI:
https://doi.org/10.17188/1677007

Citation Formats

Materials Data on Ca3Hg by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1677007.
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Materials Data on Ca3Hg by Materials Project. United States. doi:https://doi.org/10.17188/1677007
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2018. "Materials Data on Ca3Hg by Materials Project". United States. doi:https://doi.org/10.17188/1677007. https://www.osti.gov/servlets/purl/1677007. Pub date:Wed Jul 18 20:00:00 EDT 2018
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@article{osti_1677007,
title = {Materials Data on Ca3Hg by Materials Project},
abstractNote = {Ca3Hg is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 2-coordinate geometry to three equivalent Hg atoms. There are a spread of Ca–Hg bond distances ranging from 3.16–3.56 Å. In the second Ca site, Ca is bonded in a distorted bent 150 degrees geometry to two equivalent Hg atoms. There are one shorter (3.11 Å) and one longer (3.15 Å) Ca–Hg bond lengths. Hg is bonded in a 8-coordinate geometry to eight Ca atoms.},
doi = {10.17188/1677007},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}
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DOI: https://doi.org/10.17188/1677007
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