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Title: Materials Data on Tm4(B2O5)3 by Materials Project

Abstract

Tm4(B2O5)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.22–2.63 Å. In the second Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.20–2.64 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.51 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.55 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tm3+ and two equivalent B3+ atoms. Inmore » the second O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tm3+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Tm3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Tm3+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Tm3+ and one B3+ atom. In the eighth O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent Tm3+ and two equivalent B3+ atoms.« less

Publication Date:
Other Number(s):
mp-772919
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; Tm4(B2O5)3; B-O-Tm
OSTI Identifier:
1301536
DOI:
10.17188/1301536

Citation Formats

The Materials Project. Materials Data on Tm4(B2O5)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301536.
The Materials Project. Materials Data on Tm4(B2O5)3 by Materials Project. United States. doi:10.17188/1301536.
The Materials Project. 2020. "Materials Data on Tm4(B2O5)3 by Materials Project". United States. doi:10.17188/1301536. https://www.osti.gov/servlets/purl/1301536. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1301536,
title = {Materials Data on Tm4(B2O5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm4(B2O5)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.22–2.63 Å. In the second Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.20–2.64 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.51 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.55 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tm3+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tm3+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Tm3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Tm3+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Tm3+ and one B3+ atom. In the eighth O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent Tm3+ and two equivalent B3+ atoms.},
doi = {10.17188/1301536},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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