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Title: Materials Data on BaPb2C2(O3F)2 by Materials Project

Abstract

BaPb2C2(O3F)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three BaPb2C2(O3F)2 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded to six equivalent O2- and six equivalent F1- atoms to form edge-sharing BaO6F6 cuboctahedra. All Ba–O bond lengths are 2.91 Å. All Ba–F bond lengths are 3.08 Å. Pb2+ is bonded in a distorted single-bond geometry to six equivalent O2- and one F1- atom. All Pb–O bond lengths are 2.67 Å. The Pb–F bond length is 2.24 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a single-bond geometry to one Ba2+, two equivalent Pb2+, and one C4+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Pb2+ atom.

Publication Date:
Other Number(s):
mp-560874
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; BaPb2C2(O3F)2; Ba-C-F-O-Pb
OSTI Identifier:
1271704
DOI:
https://doi.org/10.17188/1271704

Citation Formats

The Materials Project. Materials Data on BaPb2C2(O3F)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271704.
The Materials Project. Materials Data on BaPb2C2(O3F)2 by Materials Project. United States. doi:https://doi.org/10.17188/1271704
The Materials Project. 2020. "Materials Data on BaPb2C2(O3F)2 by Materials Project". United States. doi:https://doi.org/10.17188/1271704. https://www.osti.gov/servlets/purl/1271704. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1271704,
title = {Materials Data on BaPb2C2(O3F)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaPb2C2(O3F)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three BaPb2C2(O3F)2 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded to six equivalent O2- and six equivalent F1- atoms to form edge-sharing BaO6F6 cuboctahedra. All Ba–O bond lengths are 2.91 Å. All Ba–F bond lengths are 3.08 Å. Pb2+ is bonded in a distorted single-bond geometry to six equivalent O2- and one F1- atom. All Pb–O bond lengths are 2.67 Å. The Pb–F bond length is 2.24 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a single-bond geometry to one Ba2+, two equivalent Pb2+, and one C4+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Pb2+ atom.},
doi = {10.17188/1271704},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}