skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on PbC4O5 by Materials Project

Abstract

(C)2PbC2O5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ethyne molecules and two PbC2O5 ribbons oriented in the (0, 1, 0) direction. In each PbC2O5 ribbon, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.41–3.15 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.29 Å) C–O bond length. In the second C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one C2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bondedmore » in a single-bond geometry to three equivalent Pb2+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one C2+ atom.« less

Publication Date:
Other Number(s):
mp-1201059
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; PbC4O5; C-O-Pb
OSTI Identifier:
1677765
DOI:
https://doi.org/10.17188/1677765

Citation Formats

The Materials Project. Materials Data on PbC4O5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677765.
The Materials Project. Materials Data on PbC4O5 by Materials Project. United States. doi:https://doi.org/10.17188/1677765
The Materials Project. 2019. "Materials Data on PbC4O5 by Materials Project". United States. doi:https://doi.org/10.17188/1677765. https://www.osti.gov/servlets/purl/1677765. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1677765,
title = {Materials Data on PbC4O5 by Materials Project},
author = {The Materials Project},
abstractNote = {(C)2PbC2O5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ethyne molecules and two PbC2O5 ribbons oriented in the (0, 1, 0) direction. In each PbC2O5 ribbon, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.41–3.15 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.29 Å) C–O bond length. In the second C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one C2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to three equivalent Pb2+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one C2+ atom.},
doi = {10.17188/1677765},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}