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Title: Materials Data on BaCaPb by Materials Project

Abstract

BaCaPb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Ba–Pb bond distances ranging from 3.65–3.86 Å. Ca is bonded to four equivalent Pb atoms to form a mixture of distorted edge and corner-sharing CaPb4 tetrahedra. There are a spread of Ca–Pb bond distances ranging from 3.30–3.37 Å. Pb is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.

Publication Date:
Other Number(s):
mp-1102214
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; BaCaPb; Ba-Ca-Pb
OSTI Identifier:
1676646
DOI:
https://doi.org/10.17188/1676646

Citation Formats

The Materials Project. Materials Data on BaCaPb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676646.
The Materials Project. Materials Data on BaCaPb by Materials Project. United States. doi:https://doi.org/10.17188/1676646
The Materials Project. 2020. "Materials Data on BaCaPb by Materials Project". United States. doi:https://doi.org/10.17188/1676646. https://www.osti.gov/servlets/purl/1676646. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676646,
title = {Materials Data on BaCaPb by Materials Project},
author = {The Materials Project},
abstractNote = {BaCaPb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Ba–Pb bond distances ranging from 3.65–3.86 Å. Ca is bonded to four equivalent Pb atoms to form a mixture of distorted edge and corner-sharing CaPb4 tetrahedra. There are a spread of Ca–Pb bond distances ranging from 3.30–3.37 Å. Pb is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.},
doi = {10.17188/1676646},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}