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Title: Materials Data on Tb5Ir3 by Materials Project

Abstract

Tb5Ir3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent Ir atoms to form a mixture of distorted edge, face, and corner-sharing TbIr6 octahedra. The corner-sharing octahedral tilt angles are 36°. All Tb–Ir bond lengths are 3.02 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to five equivalent Ir atoms. There are a spread of Tb–Ir bond distances ranging from 2.87–3.32 Å. Ir is bonded in a 9-coordinate geometry to nine Tb atoms.

Authors:
Publication Date:
Other Number(s):
mp-1188649
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; Tb5Ir3; Ir-Tb
OSTI Identifier:
1694713
DOI:
https://doi.org/10.17188/1694713

Citation Formats

The Materials Project. Materials Data on Tb5Ir3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694713.
The Materials Project. Materials Data on Tb5Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1694713
The Materials Project. 2020. "Materials Data on Tb5Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1694713. https://www.osti.gov/servlets/purl/1694713. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1694713,
title = {Materials Data on Tb5Ir3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb5Ir3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent Ir atoms to form a mixture of distorted edge, face, and corner-sharing TbIr6 octahedra. The corner-sharing octahedral tilt angles are 36°. All Tb–Ir bond lengths are 3.02 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to five equivalent Ir atoms. There are a spread of Tb–Ir bond distances ranging from 2.87–3.32 Å. Ir is bonded in a 9-coordinate geometry to nine Tb atoms.},
doi = {10.17188/1694713},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}