U.S. Department of EnergyOffice of Scientific and Technical Information
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 = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}