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Title: Materials Data on Lu4(B2O5)3 by Materials Project

Abstract

Lu4(B2O5)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six O2- atoms to form edge-sharing LuO6 octahedra. There are a spread of Lu–O bond distances ranging from 2.16–2.32 Å. In the second Lu3+ site, Lu3+ is bonded to six O2- atoms to form edge-sharing LuO6 octahedra. There are three shorter (2.11 Å) and three longer (2.29 Å) Lu–O bond lengths. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.40 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.41 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one B3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the third O2- site, O2- is bonded in amore » 3-coordinate geometry to two Lu3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Lu3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one B3+ atom.« less

Publication Date:
Other Number(s):
mp-756270
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; Lu4(B2O5)3; B-Lu-O
OSTI Identifier:
1290458
DOI:
10.17188/1290458

Citation Formats

The Materials Project. Materials Data on Lu4(B2O5)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290458.
The Materials Project. Materials Data on Lu4(B2O5)3 by Materials Project. United States. doi:10.17188/1290458.
The Materials Project. 2020. "Materials Data on Lu4(B2O5)3 by Materials Project". United States. doi:10.17188/1290458. https://www.osti.gov/servlets/purl/1290458. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290458,
title = {Materials Data on Lu4(B2O5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu4(B2O5)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six O2- atoms to form edge-sharing LuO6 octahedra. There are a spread of Lu–O bond distances ranging from 2.16–2.32 Å. In the second Lu3+ site, Lu3+ is bonded to six O2- atoms to form edge-sharing LuO6 octahedra. There are three shorter (2.11 Å) and three longer (2.29 Å) Lu–O bond lengths. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.40 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.41 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one B3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Lu3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Lu3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one B3+ atom.},
doi = {10.17188/1290458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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