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Title: Materials Data on Pb2ClOF by Materials Project

Abstract

Pb2OClF crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Pb2+ is bonded in a 7-coordinate geometry to two equivalent O2-, three equivalent Cl1-, and two equivalent F1- atoms. Both Pb–O bond lengths are 2.34 Å. There are one shorter (3.17 Å) and two longer (3.48 Å) Pb–Cl bond lengths. Both Pb–F bond lengths are 2.56 Å. O2- is bonded to four equivalent Pb2+ atoms to form distorted OPb4 tetrahedra that share corners with four equivalent FPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra. Cl1- is bonded in a 6-coordinate geometry to six equivalent Pb2+ atoms. F1- is bonded to four equivalent Pb2+ atoms to form distorted FPb4 tetrahedra that share corners with four equivalent OPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra.

Publication Date:
Other Number(s):
mp-23104
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; Pb2ClOF; Cl-F-O-Pb
OSTI Identifier:
1199240
DOI:
https://doi.org/10.17188/1199240

Citation Formats

The Materials Project. Materials Data on Pb2ClOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199240.
The Materials Project. Materials Data on Pb2ClOF by Materials Project. United States. doi:https://doi.org/10.17188/1199240
The Materials Project. 2020. "Materials Data on Pb2ClOF by Materials Project". United States. doi:https://doi.org/10.17188/1199240. https://www.osti.gov/servlets/purl/1199240. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199240,
title = {Materials Data on Pb2ClOF by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2OClF crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Pb2+ is bonded in a 7-coordinate geometry to two equivalent O2-, three equivalent Cl1-, and two equivalent F1- atoms. Both Pb–O bond lengths are 2.34 Å. There are one shorter (3.17 Å) and two longer (3.48 Å) Pb–Cl bond lengths. Both Pb–F bond lengths are 2.56 Å. O2- is bonded to four equivalent Pb2+ atoms to form distorted OPb4 tetrahedra that share corners with four equivalent FPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra. Cl1- is bonded in a 6-coordinate geometry to six equivalent Pb2+ atoms. F1- is bonded to four equivalent Pb2+ atoms to form distorted FPb4 tetrahedra that share corners with four equivalent OPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra.},
doi = {10.17188/1199240},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}