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Title: Materials Data on Y6Pb8OF32 by Materials Project

Abstract

Y6Pb8OF32 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.23–2.37 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to one O2- and seven F1- atoms. The Pb–O bond length is 2.69 Å. There are a spread of Pb–F bond distances ranging from 2.50–2.86 Å. In the second Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–3.03 Å. O2- is bonded in a 6-coordinate geometry to six equivalent Pb2+ and eight F1- atoms. There are six shorter (2.79 Å) and two longer (2.86 Å) O–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to one Y3+ and three Pb2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one Y3+, three equivalent Pb2+, and one O2- atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalentmore » Y3+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Pb2+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Y3+ and one Pb2+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to four Pb2+ and one O2- atom.« less

Publication Date:
Other Number(s):
mp-621825
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; Y6Pb8OF32; F-O-Pb-Y
OSTI Identifier:
1278059
DOI:
10.17188/1278059

Citation Formats

The Materials Project. Materials Data on Y6Pb8OF32 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278059.
The Materials Project. Materials Data on Y6Pb8OF32 by Materials Project. United States. doi:10.17188/1278059.
The Materials Project. 2020. "Materials Data on Y6Pb8OF32 by Materials Project". United States. doi:10.17188/1278059. https://www.osti.gov/servlets/purl/1278059. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1278059,
title = {Materials Data on Y6Pb8OF32 by Materials Project},
author = {The Materials Project},
abstractNote = {Y6Pb8OF32 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.23–2.37 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to one O2- and seven F1- atoms. The Pb–O bond length is 2.69 Å. There are a spread of Pb–F bond distances ranging from 2.50–2.86 Å. In the second Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Pb–F bond distances ranging from 2.48–3.03 Å. O2- is bonded in a 6-coordinate geometry to six equivalent Pb2+ and eight F1- atoms. There are six shorter (2.79 Å) and two longer (2.86 Å) O–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to one Y3+ and three Pb2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one Y3+, three equivalent Pb2+, and one O2- atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Y3+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Pb2+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Y3+ and one Pb2+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to four Pb2+ and one O2- atom.},
doi = {10.17188/1278059},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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