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Title: Materials Data on Tb3FeB7 by Materials Project

Abstract

Tb3FeB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Tb–B bond distances ranging from 2.62–2.73 Å. In the second Tb4+ site, Tb4+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Tb–B bond distances ranging from 2.64–2.68 Å. Fe3+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are six shorter (2.27 Å) and four longer (2.28 Å) Fe–B bond lengths. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 8-coordinate geometry to four equivalent Tb4+, two equivalent Fe3+, and two equivalent B+2.14- atoms. Both B–B bond lengths are 1.71 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Tb4+ and three B+2.14- atoms. There is one shorter (1.91 Å) and two longer (1.96 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Tb4+, two equivalent Fe3+, and three B+2.14- atoms. There is one shorter (1.77 Å) and one longermore » (1.81 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Tb4+, two equivalent Fe3+, and three B+2.14- atoms. The B–B bond length is 1.99 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-972235
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; Tb3FeB7; B-Fe-Tb
OSTI Identifier:
1313786
DOI:
https://doi.org/10.17188/1313786

Citation Formats

The Materials Project. Materials Data on Tb3FeB7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313786.
The Materials Project. Materials Data on Tb3FeB7 by Materials Project. United States. doi:https://doi.org/10.17188/1313786
The Materials Project. 2020. "Materials Data on Tb3FeB7 by Materials Project". United States. doi:https://doi.org/10.17188/1313786. https://www.osti.gov/servlets/purl/1313786. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1313786,
title = {Materials Data on Tb3FeB7 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb3FeB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Tb–B bond distances ranging from 2.62–2.73 Å. In the second Tb4+ site, Tb4+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Tb–B bond distances ranging from 2.64–2.68 Å. Fe3+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are six shorter (2.27 Å) and four longer (2.28 Å) Fe–B bond lengths. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 8-coordinate geometry to four equivalent Tb4+, two equivalent Fe3+, and two equivalent B+2.14- atoms. Both B–B bond lengths are 1.71 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Tb4+ and three B+2.14- atoms. There is one shorter (1.91 Å) and two longer (1.96 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Tb4+, two equivalent Fe3+, and three B+2.14- atoms. There is one shorter (1.77 Å) and one longer (1.81 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Tb4+, two equivalent Fe3+, and three B+2.14- atoms. The B–B bond length is 1.99 Å.},
doi = {10.17188/1313786},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}