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Title: Materials Data on CrPb2F7 by Materials Project

Abstract

CrPb2F7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cr3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Cr–F bond distances ranging from 1.93–1.97 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Pb–F bond distances ranging from 2.37–2.90 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.44–2.75 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Cr3+ and two Pb2+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Cr3+ and two Pb2+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to three Pb2+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cr3+ and two Pb2+ atoms. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Cr3+ and two equivalent Pb2+more » atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Cr3+ and one Pb2+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to one Cr3+ and two Pb2+ atoms.« less

Publication Date:
Other Number(s):
mp-1197980
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; CrPb2F7; Cr-F-Pb
OSTI Identifier:
1699360
DOI:
https://doi.org/10.17188/1699360

Citation Formats

The Materials Project. Materials Data on CrPb2F7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699360.
The Materials Project. Materials Data on CrPb2F7 by Materials Project. United States. doi:https://doi.org/10.17188/1699360
The Materials Project. 2020. "Materials Data on CrPb2F7 by Materials Project". United States. doi:https://doi.org/10.17188/1699360. https://www.osti.gov/servlets/purl/1699360. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1699360,
title = {Materials Data on CrPb2F7 by Materials Project},
author = {The Materials Project},
abstractNote = {CrPb2F7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cr3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Cr–F bond distances ranging from 1.93–1.97 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Pb–F bond distances ranging from 2.37–2.90 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.44–2.75 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Cr3+ and two Pb2+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Cr3+ and two Pb2+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to three Pb2+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cr3+ and two Pb2+ atoms. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Cr3+ and two equivalent Pb2+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Cr3+ and one Pb2+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to one Cr3+ and two Pb2+ atoms.},
doi = {10.17188/1699360},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}