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Title: Materials Data on Ca3PbO by Materials Project

Abstract

Ca3PbO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Pb and two equivalent O atoms. All Ca–Pb bond lengths are 3.45 Å. Both Ca–O bond lengths are 2.44 Å. Pb is bonded to twelve equivalent Ca atoms to form PbCa12 cuboctahedra that share corners with twelve equivalent PbCa12 cuboctahedra, faces with six equivalent PbCa12 cuboctahedra, and faces with eight equivalent OCa6 octahedra. O is bonded to six equivalent Ca atoms to form OCa6 octahedra that share corners with six equivalent OCa6 octahedra and faces with eight equivalent PbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-20273
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; Ca3PbO; Ca-O-Pb
OSTI Identifier:
1195403
DOI:
https://doi.org/10.17188/1195403

Citation Formats

The Materials Project. Materials Data on Ca3PbO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195403.
The Materials Project. Materials Data on Ca3PbO by Materials Project. United States. doi:https://doi.org/10.17188/1195403
The Materials Project. 2020. "Materials Data on Ca3PbO by Materials Project". United States. doi:https://doi.org/10.17188/1195403. https://www.osti.gov/servlets/purl/1195403. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195403,
title = {Materials Data on Ca3PbO by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3PbO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Pb and two equivalent O atoms. All Ca–Pb bond lengths are 3.45 Å. Both Ca–O bond lengths are 2.44 Å. Pb is bonded to twelve equivalent Ca atoms to form PbCa12 cuboctahedra that share corners with twelve equivalent PbCa12 cuboctahedra, faces with six equivalent PbCa12 cuboctahedra, and faces with eight equivalent OCa6 octahedra. O is bonded to six equivalent Ca atoms to form OCa6 octahedra that share corners with six equivalent OCa6 octahedra and faces with eight equivalent PbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1195403},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}