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Title: Materials Data on H4Pb(CO3)2 by Materials Project

Abstract

PbC2H2O5H2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four water molecules and one PbC2H2O5 framework. In the PbC2H2O5 framework, Pb2+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.48–3.02 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one C3+ atom. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Pb2+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one C3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-600174
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; H4Pb(CO3)2; C-H-O-Pb
OSTI Identifier:
1183755
DOI:
https://doi.org/10.17188/1183755

Citation Formats

The Materials Project. Materials Data on H4Pb(CO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1183755.
The Materials Project. Materials Data on H4Pb(CO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1183755
The Materials Project. 2020. "Materials Data on H4Pb(CO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1183755. https://www.osti.gov/servlets/purl/1183755. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1183755,
title = {Materials Data on H4Pb(CO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PbC2H2O5H2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four water molecules and one PbC2H2O5 framework. In the PbC2H2O5 framework, Pb2+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.48–3.02 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one C3+ atom. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Pb2+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one C3+ atom.},
doi = {10.17188/1183755},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}