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Title: Materials Data on CaCdPb by Materials Project

Abstract

CaCdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to six equivalent Cd and five Pb atoms. There are two shorter (3.50 Å) and four longer (3.77 Å) Ca–Cd bond lengths. There are one shorter (3.34 Å) and four longer (3.36 Å) Ca–Pb bond lengths. Cd is bonded in a 4-coordinate geometry to six equivalent Ca and four Pb atoms. There are two shorter (3.00 Å) and two longer (3.11 Å) Cd–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted q6 geometry to three equivalent Ca and six equivalent Cd atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Cd atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-623089
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; CaCdPb; Ca-Cd-Pb
OSTI Identifier:
1268468
DOI:
10.17188/1268468

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CaCdPb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268468.
Persson, Kristin, & Project, Materials. Materials Data on CaCdPb by Materials Project. United States. doi:10.17188/1268468.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CaCdPb by Materials Project". United States. doi:10.17188/1268468. https://www.osti.gov/servlets/purl/1268468. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1268468,
title = {Materials Data on CaCdPb by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CaCdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to six equivalent Cd and five Pb atoms. There are two shorter (3.50 Å) and four longer (3.77 Å) Ca–Cd bond lengths. There are one shorter (3.34 Å) and four longer (3.36 Å) Ca–Pb bond lengths. Cd is bonded in a 4-coordinate geometry to six equivalent Ca and four Pb atoms. There are two shorter (3.00 Å) and two longer (3.11 Å) Cd–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted q6 geometry to three equivalent Ca and six equivalent Cd atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Cd atoms.},
doi = {10.17188/1268468},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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