skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TbCrSe3 by Materials Project

Abstract

TbCrSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.99–3.49 Å. Cr3+ is bonded to six Se2- atoms to form edge-sharing CrSe6 octahedra. There are a spread of Cr–Se bond distances ranging from 2.49–2.58 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and three equivalent Cr3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Tb3+ and two equivalent Cr3+ atoms. In the third Se2- site, Se2- is bonded to four equivalent Tb3+ and one Cr3+ atom to form a mixture of distorted corner and edge-sharing SeTb4Cr square pyramids.

Publication Date:
Other Number(s):
mp-1208345
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; TbCrSe3; Cr-Se-Tb
OSTI Identifier:
1694578
DOI:
https://doi.org/10.17188/1694578

Citation Formats

The Materials Project. Materials Data on TbCrSe3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1694578.
The Materials Project. Materials Data on TbCrSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1694578
The Materials Project. 2019. "Materials Data on TbCrSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1694578. https://www.osti.gov/servlets/purl/1694578. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1694578,
title = {Materials Data on TbCrSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {TbCrSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.99–3.49 Å. Cr3+ is bonded to six Se2- atoms to form edge-sharing CrSe6 octahedra. There are a spread of Cr–Se bond distances ranging from 2.49–2.58 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and three equivalent Cr3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Tb3+ and two equivalent Cr3+ atoms. In the third Se2- site, Se2- is bonded to four equivalent Tb3+ and one Cr3+ atom to form a mixture of distorted corner and edge-sharing SeTb4Cr square pyramids.},
doi = {10.17188/1694578},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}