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Title: Materials Data on Tb5(SiB4)2 by Materials Project

Abstract

Tb5Si2B8 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional and consists of four silicon molecules and one Tb5B8 framework. In the Tb5B8 framework, there are two inequivalent Tb+3.20+ sites. In the first Tb+3.20+ site, Tb+3.20+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are a spread of Tb–B bond distances ranging from 2.65–2.98 Å. In the second Tb+3.20+ site, Tb+3.20+ is bonded in a linear geometry to two equivalent B3- atoms. Both Tb–B bond lengths are 2.76 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Tb+3.20+ and five B3- atoms. There are a spread of B–B bond distances ranging from 1.76–1.84 Å. In the second B3- site, B3- is bonded in a 3-coordinate geometry to six equivalent Tb+3.20+ and three B3- atoms. The B–B bond length is 1.85 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to five Tb+3.20+ and four equivalent B3- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1208405
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; Tb5(SiB4)2; B-Si-Tb
OSTI Identifier:
1740463
DOI:
https://doi.org/10.17188/1740463

Citation Formats

The Materials Project. Materials Data on Tb5(SiB4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740463.
The Materials Project. Materials Data on Tb5(SiB4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740463
The Materials Project. 2020. "Materials Data on Tb5(SiB4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740463. https://www.osti.gov/servlets/purl/1740463. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1740463,
title = {Materials Data on Tb5(SiB4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb5Si2B8 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional and consists of four silicon molecules and one Tb5B8 framework. In the Tb5B8 framework, there are two inequivalent Tb+3.20+ sites. In the first Tb+3.20+ site, Tb+3.20+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are a spread of Tb–B bond distances ranging from 2.65–2.98 Å. In the second Tb+3.20+ site, Tb+3.20+ is bonded in a linear geometry to two equivalent B3- atoms. Both Tb–B bond lengths are 2.76 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Tb+3.20+ and five B3- atoms. There are a spread of B–B bond distances ranging from 1.76–1.84 Å. In the second B3- site, B3- is bonded in a 3-coordinate geometry to six equivalent Tb+3.20+ and three B3- atoms. The B–B bond length is 1.85 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to five Tb+3.20+ and four equivalent B3- atoms.},
doi = {10.17188/1740463},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}