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Title: Materials Data on Tb2B4C by Materials Project

Abstract

Tb2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb4+ is bonded in a 2-coordinate geometry to six equivalent B+1.50- and two equivalent C2- atoms. There are four shorter (2.75 Å) and two longer (2.99 Å) Tb–B bond lengths. Both Tb–C bond lengths are 2.43 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to six equivalent Tb4+ and three B+1.50- atoms. There is one shorter (1.78 Å) and two longer (1.88 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a single-bond geometry to two equivalent B+1.50- and one C2- atom. The B–C bond length is 1.49 Å. C2- is bonded to four equivalent Tb4+ and two equivalent B+1.50- atoms to form distorted edge-sharing CTb4B2 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-1025379
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; Tb2B4C; B-C-Tb
OSTI Identifier:
1355546
DOI:
https://doi.org/10.17188/1355546

Citation Formats

The Materials Project. Materials Data on Tb2B4C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355546.
The Materials Project. Materials Data on Tb2B4C by Materials Project. United States. doi:https://doi.org/10.17188/1355546
The Materials Project. 2020. "Materials Data on Tb2B4C by Materials Project". United States. doi:https://doi.org/10.17188/1355546. https://www.osti.gov/servlets/purl/1355546. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1355546,
title = {Materials Data on Tb2B4C by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb4+ is bonded in a 2-coordinate geometry to six equivalent B+1.50- and two equivalent C2- atoms. There are four shorter (2.75 Å) and two longer (2.99 Å) Tb–B bond lengths. Both Tb–C bond lengths are 2.43 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to six equivalent Tb4+ and three B+1.50- atoms. There is one shorter (1.78 Å) and two longer (1.88 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a single-bond geometry to two equivalent B+1.50- and one C2- atom. The B–C bond length is 1.49 Å. C2- is bonded to four equivalent Tb4+ and two equivalent B+1.50- atoms to form distorted edge-sharing CTb4B2 octahedra.},
doi = {10.17188/1355546},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}