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Title: Materials Data on CeHgPd by Materials Project

Abstract

CePdHg crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 11-coordinate geometry to five Pd and six Hg atoms. There are four shorter (3.10 Å) and one longer (3.14 Å) Ce–Pd bond lengths. There are two shorter (3.28 Å) and four longer (3.38 Å) Ce–Hg bond lengths. In the second Ce site, Ce is bonded in a 11-coordinate geometry to five Pd and six Hg atoms. There are four shorter (3.09 Å) and one longer (3.13 Å) Ce–Pd bond lengths. There are two shorter (3.28 Å) and four longer (3.38 Å) Ce–Hg bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and three Hg atoms. All Pd–Hg bond lengths are 2.92 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three Ce and six Hg atoms. All Pd–Hg bond lengths are 2.85 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 10-coordinate geometry to six Ce and four Pd atoms. In the second Hg site,more » Hg is bonded in a distorted q6 geometry to six Ce and four Pd atoms.« less

Publication Date:
Other Number(s):
mp-1079310
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; Ce-Hg-Pd; CeHgPd; crystal structure
OSTI Identifier:
1738718
DOI:
https://doi.org/10.17188/1738718

Citation Formats

Materials Data on CeHgPd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738718.
Materials Data on CeHgPd by Materials Project. United States. doi:https://doi.org/10.17188/1738718
2020. "Materials Data on CeHgPd by Materials Project". United States. doi:https://doi.org/10.17188/1738718. https://www.osti.gov/servlets/purl/1738718. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1738718,
title = {Materials Data on CeHgPd by Materials Project},
abstractNote = {CePdHg crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 11-coordinate geometry to five Pd and six Hg atoms. There are four shorter (3.10 Å) and one longer (3.14 Å) Ce–Pd bond lengths. There are two shorter (3.28 Å) and four longer (3.38 Å) Ce–Hg bond lengths. In the second Ce site, Ce is bonded in a 11-coordinate geometry to five Pd and six Hg atoms. There are four shorter (3.09 Å) and one longer (3.13 Å) Ce–Pd bond lengths. There are two shorter (3.28 Å) and four longer (3.38 Å) Ce–Hg bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six Ce and three Hg atoms. All Pd–Hg bond lengths are 2.92 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three Ce and six Hg atoms. All Pd–Hg bond lengths are 2.85 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 10-coordinate geometry to six Ce and four Pd atoms. In the second Hg site, Hg is bonded in a distorted q6 geometry to six Ce and four Pd atoms.},
doi = {10.17188/1738718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}