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Title: Materials Data on Lu(BiO2)3 by Materials Project

Abstract

Lu(BiO2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Lu–O bond lengths are 2.23 Å. In the second Lu3+ site, Lu3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Lu–O bond lengths are 2.22 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Lu3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OLuBi3 trigonal pyramids. In the second O2- site, O2- is bonded to one Lu3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OLuBi3 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-754693
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Lu(BiO2)3; Bi-Lu-O
OSTI Identifier:
1289521
DOI:
https://doi.org/10.17188/1289521

Citation Formats

The Materials Project. Materials Data on Lu(BiO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289521.
The Materials Project. Materials Data on Lu(BiO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1289521
The Materials Project. 2020. "Materials Data on Lu(BiO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1289521. https://www.osti.gov/servlets/purl/1289521. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289521,
title = {Materials Data on Lu(BiO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu(BiO2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Lu–O bond lengths are 2.23 Å. In the second Lu3+ site, Lu3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Lu–O bond lengths are 2.22 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Lu3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OLuBi3 trigonal pyramids. In the second O2- site, O2- is bonded to one Lu3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OLuBi3 trigonal pyramids.},
doi = {10.17188/1289521},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}