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Title: Materials Data on Tb2B6Os by Materials Project

Abstract

Tb2OsB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Tb+3.50+ sites. In the first Tb+3.50+ site, Tb+3.50+ is bonded in a 6-coordinate geometry to three equivalent Os1- and fourteen B1- atoms. There are two shorter (3.09 Å) and one longer (3.21 Å) Tb–Os bond lengths. There are a spread of Tb–B bond distances ranging from 2.74–2.83 Å. In the second Tb+3.50+ site, Tb+3.50+ is bonded in a 12-coordinate geometry to two equivalent Os1- and twelve B1- atoms. There are one shorter (2.87 Å) and one longer (2.88 Å) Tb–Os bond lengths. There are four shorter (2.62 Å) and eight longer (2.64 Å) Tb–B bond lengths. Os1- is bonded in a 12-coordinate geometry to five Tb+3.50+ and ten B1- atoms. There are a spread of Os–B bond distances ranging from 2.35–2.42 Å. There are six inequivalent B1- sites. In the first B1- site, B1- is bonded in a 9-coordinate geometry to four equivalent Tb+3.50+, two equivalent Os1-, and three B1- atoms. There are a spread of B–B bond distances ranging from 1.79–1.85 Å. In the second B1- site, B1- is bonded in a 9-coordinate geometry to four Tb+3.50+, two equivalent Os1-, and three B1-more » atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) B–B bond length. In the third B1- site, B1- is bonded in a 9-coordinate geometry to four Tb+3.50+, two equivalent Os1-, and three B1- atoms. There is one shorter (1.73 Å) and one longer (1.89 Å) B–B bond length. In the fourth B1- site, B1- is bonded in a 9-coordinate geometry to four Tb+3.50+, two equivalent Os1-, and three B1- atoms. There is one shorter (1.79 Å) and one longer (1.80 Å) B–B bond length. In the fifth B1- site, B1- is bonded in a 9-coordinate geometry to four Tb+3.50+, two equivalent Os1-, and three B1- atoms. In the sixth B1- site, B1- is bonded in a 9-coordinate geometry to six Tb+3.50+ and three B1- atoms. The B–B bond length is 2.18 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1200538
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; Tb2B6Os; B-Os-Tb
OSTI Identifier:
1666634
DOI:
https://doi.org/10.17188/1666634

Citation Formats

The Materials Project. Materials Data on Tb2B6Os by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666634.
The Materials Project. Materials Data on Tb2B6Os by Materials Project. United States. doi:https://doi.org/10.17188/1666634
The Materials Project. 2020. "Materials Data on Tb2B6Os by Materials Project". United States. doi:https://doi.org/10.17188/1666634. https://www.osti.gov/servlets/purl/1666634. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1666634,
title = {Materials Data on Tb2B6Os by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2OsB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Tb+3.50+ sites. In the first Tb+3.50+ site, Tb+3.50+ is bonded in a 6-coordinate geometry to three equivalent Os1- and fourteen B1- atoms. There are two shorter (3.09 Å) and one longer (3.21 Å) Tb–Os bond lengths. There are a spread of Tb–B bond distances ranging from 2.74–2.83 Å. In the second Tb+3.50+ site, Tb+3.50+ is bonded in a 12-coordinate geometry to two equivalent Os1- and twelve B1- atoms. There are one shorter (2.87 Å) and one longer (2.88 Å) Tb–Os bond lengths. There are four shorter (2.62 Å) and eight longer (2.64 Å) Tb–B bond lengths. Os1- is bonded in a 12-coordinate geometry to five Tb+3.50+ and ten B1- atoms. There are a spread of Os–B bond distances ranging from 2.35–2.42 Å. There are six inequivalent B1- sites. In the first B1- site, B1- is bonded in a 9-coordinate geometry to four equivalent Tb+3.50+, two equivalent Os1-, and three B1- atoms. There are a spread of B–B bond distances ranging from 1.79–1.85 Å. In the second B1- site, B1- is bonded in a 9-coordinate geometry to four Tb+3.50+, two equivalent Os1-, and three B1- atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) B–B bond length. In the third B1- site, B1- is bonded in a 9-coordinate geometry to four Tb+3.50+, two equivalent Os1-, and three B1- atoms. There is one shorter (1.73 Å) and one longer (1.89 Å) B–B bond length. In the fourth B1- site, B1- is bonded in a 9-coordinate geometry to four Tb+3.50+, two equivalent Os1-, and three B1- atoms. There is one shorter (1.79 Å) and one longer (1.80 Å) B–B bond length. In the fifth B1- site, B1- is bonded in a 9-coordinate geometry to four Tb+3.50+, two equivalent Os1-, and three B1- atoms. In the sixth B1- site, B1- is bonded in a 9-coordinate geometry to six Tb+3.50+ and three B1- atoms. The B–B bond length is 2.18 Å.},
doi = {10.17188/1666634},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}