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Title: Materials Data on Pb2CO4 by Materials Project

Abstract

Pb2O(CO3) crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.21–2.91 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.26–2.69 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Pb2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505702
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; Pb2CO4; C-O-Pb
OSTI Identifier:
1262707
DOI:
10.17188/1262707

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Pb2CO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262707.
Persson, Kristin, & Project, Materials. Materials Data on Pb2CO4 by Materials Project. United States. doi:10.17188/1262707.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Pb2CO4 by Materials Project". United States. doi:10.17188/1262707. https://www.osti.gov/servlets/purl/1262707. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1262707,
title = {Materials Data on Pb2CO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pb2O(CO3) crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.21–2.91 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.26–2.69 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Pb2+ atoms.},
doi = {10.17188/1262707},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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