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Title: Materials Data on Ca2Pb by Materials Project

Abstract

Ca2Pb is Cotunnite 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 to four equivalent Pb atoms to form a mixture of edge and corner-sharing CaPb4 tetrahedra. There are three shorter (3.20 Å) and one longer (3.30 Å) Ca–Pb bond lengths. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.39–3.74 Å. Pb is bonded in a 9-coordinate geometry to nine Ca atoms.

Publication Date:
Other Number(s):
mp-30478
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; Ca2Pb; Ca-Pb
OSTI Identifier:
1204884
DOI:
10.17188/1204884

Citation Formats

The Materials Project. Materials Data on Ca2Pb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204884.
The Materials Project. Materials Data on Ca2Pb by Materials Project. United States. doi:10.17188/1204884.
The Materials Project. 2020. "Materials Data on Ca2Pb by Materials Project". United States. doi:10.17188/1204884. https://www.osti.gov/servlets/purl/1204884. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1204884,
title = {Materials Data on Ca2Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2Pb is Cotunnite 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 to four equivalent Pb atoms to form a mixture of edge and corner-sharing CaPb4 tetrahedra. There are three shorter (3.20 Å) and one longer (3.30 Å) Ca–Pb bond lengths. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.39–3.74 Å. Pb is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1204884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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