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Title: Materials Data on Ca5Pb3 by Materials Project

Abstract

Ca5Pb3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.24–3.72 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.26–3.70 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.39–3.45 Å. In the fourth Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.26–3.65 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms. In the third Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms.

Authors:
Publication Date:
Other Number(s):
mp-574272
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ca5Pb3; Ca-Pb
OSTI Identifier:
1276564
DOI:
https://doi.org/10.17188/1276564

Citation Formats

The Materials Project. Materials Data on Ca5Pb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276564.
The Materials Project. Materials Data on Ca5Pb3 by Materials Project. United States. doi:https://doi.org/10.17188/1276564
The Materials Project. 2020. "Materials Data on Ca5Pb3 by Materials Project". United States. doi:https://doi.org/10.17188/1276564. https://www.osti.gov/servlets/purl/1276564. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1276564,
title = {Materials Data on Ca5Pb3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca5Pb3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.24–3.72 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.26–3.70 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.39–3.45 Å. In the fourth Ca site, Ca is bonded in a 5-coordinate geometry to five Pb atoms. There are a spread of Ca–Pb bond distances ranging from 3.26–3.65 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms. In the third Pb site, Pb is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1276564},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}