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

Title: Materials Data on Tb7RhI12 by Materials Project

Abstract

Tb7RhI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.05 Å. In the second Tb site, Tb is bonded to one Rh and five I atoms to form distorted TbRhI5 octahedra that share corners with three equivalent TbRhI5 octahedra and edges with six TbI6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. The Tb–Rh bond length is 2.70 Å. There are a spread of Tb–I bond distances ranging from 3.11–3.42 Å. Rh is bonded in an octahedral geometry to six equivalent Tb atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Tb atoms.

Publication Date:
Other Number(s):
mp-1190279
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; Tb7RhI12; I-Rh-Tb
OSTI Identifier:
1710031
DOI:
https://doi.org/10.17188/1710031

Citation Formats

The Materials Project. Materials Data on Tb7RhI12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710031.
The Materials Project. Materials Data on Tb7RhI12 by Materials Project. United States. doi:https://doi.org/10.17188/1710031
The Materials Project. 2020. "Materials Data on Tb7RhI12 by Materials Project". United States. doi:https://doi.org/10.17188/1710031. https://www.osti.gov/servlets/purl/1710031. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1710031,
title = {Materials Data on Tb7RhI12 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb7RhI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.05 Å. In the second Tb site, Tb is bonded to one Rh and five I atoms to form distorted TbRhI5 octahedra that share corners with three equivalent TbRhI5 octahedra and edges with six TbI6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. The Tb–Rh bond length is 2.70 Å. There are a spread of Tb–I bond distances ranging from 3.11–3.42 Å. Rh is bonded in an octahedral geometry to six equivalent Tb atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Tb atoms.},
doi = {10.17188/1710031},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}