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Title: Materials Data on Tb7NiI12 by Materials Project

Abstract

Tb7NiI12 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 one Ni and five I atoms to form a mixture of distorted corner and edge-sharing TbNiI5 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. The Tb–Ni bond length is 2.66 Å. There are a spread of Tb–I bond distances ranging from 3.13–3.38 Å. In the second Tb site, Tb is bonded to six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.09 Å. Ni 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 equivalent Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Tb atoms.

Authors:
Publication Date:
Other Number(s):
mp-1106228
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; Tb7NiI12; I-Ni-Tb
OSTI Identifier:
1705713
DOI:
https://doi.org/10.17188/1705713

Citation Formats

The Materials Project. Materials Data on Tb7NiI12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705713.
The Materials Project. Materials Data on Tb7NiI12 by Materials Project. United States. doi:https://doi.org/10.17188/1705713
The Materials Project. 2020. "Materials Data on Tb7NiI12 by Materials Project". United States. doi:https://doi.org/10.17188/1705713. https://www.osti.gov/servlets/purl/1705713. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705713,
title = {Materials Data on Tb7NiI12 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb7NiI12 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 one Ni and five I atoms to form a mixture of distorted corner and edge-sharing TbNiI5 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. The Tb–Ni bond length is 2.66 Å. There are a spread of Tb–I bond distances ranging from 3.13–3.38 Å. In the second Tb site, Tb is bonded to six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.09 Å. Ni 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 equivalent Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Tb atoms.},
doi = {10.17188/1705713},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}