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Title: Materials Data on Tb5Si3B by Materials Project

Abstract

Tb5BSi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing TbSi6 octahedra. The corner-sharing octahedral tilt angles are 32°. All Tb–Si bond lengths are 3.07 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to two equivalent B3- and five equivalent Si4- atoms. Both Tb–B bond lengths are 2.61 Å. There are a spread of Tb–Si bond distances ranging from 3.01–3.47 Å. B3- is bonded to six equivalent Tb3+ atoms to form face-sharing BTb6 octahedra. Si4- is bonded in a 9-coordinate geometry to nine Tb3+ atoms.

Publication Date:
Other Number(s):
mp-1189409
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; Tb5Si3B; B-Si-Tb
OSTI Identifier:
1662234
DOI:
https://doi.org/10.17188/1662234

Citation Formats

The Materials Project. Materials Data on Tb5Si3B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662234.
The Materials Project. Materials Data on Tb5Si3B by Materials Project. United States. doi:https://doi.org/10.17188/1662234
The Materials Project. 2020. "Materials Data on Tb5Si3B by Materials Project". United States. doi:https://doi.org/10.17188/1662234. https://www.osti.gov/servlets/purl/1662234. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1662234,
title = {Materials Data on Tb5Si3B by Materials Project},
author = {The Materials Project},
abstractNote = {Tb5BSi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing TbSi6 octahedra. The corner-sharing octahedral tilt angles are 32°. All Tb–Si bond lengths are 3.07 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to two equivalent B3- and five equivalent Si4- atoms. Both Tb–B bond lengths are 2.61 Å. There are a spread of Tb–Si bond distances ranging from 3.01–3.47 Å. B3- is bonded to six equivalent Tb3+ atoms to form face-sharing BTb6 octahedra. Si4- is bonded in a 9-coordinate geometry to nine Tb3+ atoms.},
doi = {10.17188/1662234},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}