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Title: Materials Data on Li3Eu2(BO3)3 by Materials Project

Abstract

Li3Eu2(BO3)3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.18 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.67 Å. In the third Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.03 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to four O2- atoms to form distorted corner-sharing EuO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.11–2.42 Å. In the second Eu3+ site, Eu3+ is bonded to four O2- atoms to form corner-sharing EuO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.13–2.35 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.36 Å) and onemore » longer (1.44 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.42 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.43 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Li1+, one Eu3+, and one B3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Li1+, one Eu3+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two B3+ atoms. In the sixth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Li1+, one Eu3+, and one B3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Eu3+, and one B3+ atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two Eu3+ atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two Eu3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1196670
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; Li3Eu2(BO3)3; B-Eu-Li-O
OSTI Identifier:
1717526
DOI:
https://doi.org/10.17188/1717526

Citation Formats

The Materials Project. Materials Data on Li3Eu2(BO3)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1717526.
The Materials Project. Materials Data on Li3Eu2(BO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1717526
The Materials Project. 2019. "Materials Data on Li3Eu2(BO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1717526. https://www.osti.gov/servlets/purl/1717526. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1717526,
title = {Materials Data on Li3Eu2(BO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3Eu2(BO3)3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.18 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.67 Å. In the third Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.03 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to four O2- atoms to form distorted corner-sharing EuO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.11–2.42 Å. In the second Eu3+ site, Eu3+ is bonded to four O2- atoms to form corner-sharing EuO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.13–2.35 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.36 Å) and one longer (1.44 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.42 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.43 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Li1+, one Eu3+, and one B3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Li1+, one Eu3+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two B3+ atoms. In the sixth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Li1+, one Eu3+, and one B3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Eu3+, and one B3+ atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two Eu3+ atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two Eu3+ atoms.},
doi = {10.17188/1717526},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}