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Title: Materials Data on Tb11In9Ni4 by Materials Project

Abstract

Tb11Ni4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Tb–Ni bond lengths are 2.78 Å. There are a spread of Tb–In bond distances ranging from 3.16–3.44 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.27 Å) and four longer (3.41 Å) Tb–In bond lengths. In the third Tb site, Tb is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Tb–Ni bond lengths are 2.92 Å. There are two shorter (3.23 Å) and four longer (3.36 Å) Tb–In bond lengths. In the fourth Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Ni and six In atoms. All Tb–Ni bond lengths are 2.86 Å. There are two shorter (3.29 Å) and four longer (3.39 Å) Tb–In bond lengths. In the fifth Tb site, Tb is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Tb–In bond lengths are 3.23 Å. Ni is bonded in amore » 6-coordinate geometry to six Tb and three In atoms. There are a spread of Ni–In bond distances ranging from 2.98–3.09 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Tb, one Ni, and one In atom. The In–In bond length is 3.04 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Tb, one Ni, and one In atom. The In–In bond length is 3.04 Å. In the third In site, In is bonded to eight Tb and four equivalent Ni atoms to form face-sharing InTb8Ni4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1191293
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; Tb11In9Ni4; In-Ni-Tb
OSTI Identifier:
1677072
DOI:
https://doi.org/10.17188/1677072

Citation Formats

The Materials Project. Materials Data on Tb11In9Ni4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677072.
The Materials Project. Materials Data on Tb11In9Ni4 by Materials Project. United States. doi:https://doi.org/10.17188/1677072
The Materials Project. 2019. "Materials Data on Tb11In9Ni4 by Materials Project". United States. doi:https://doi.org/10.17188/1677072. https://www.osti.gov/servlets/purl/1677072. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1677072,
title = {Materials Data on Tb11In9Ni4 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb11Ni4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Tb–Ni bond lengths are 2.78 Å. There are a spread of Tb–In bond distances ranging from 3.16–3.44 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.27 Å) and four longer (3.41 Å) Tb–In bond lengths. In the third Tb site, Tb is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Tb–Ni bond lengths are 2.92 Å. There are two shorter (3.23 Å) and four longer (3.36 Å) Tb–In bond lengths. In the fourth Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Ni and six In atoms. All Tb–Ni bond lengths are 2.86 Å. There are two shorter (3.29 Å) and four longer (3.39 Å) Tb–In bond lengths. In the fifth Tb site, Tb is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Tb–In bond lengths are 3.23 Å. Ni is bonded in a 6-coordinate geometry to six Tb and three In atoms. There are a spread of Ni–In bond distances ranging from 2.98–3.09 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Tb, one Ni, and one In atom. The In–In bond length is 3.04 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Tb, one Ni, and one In atom. The In–In bond length is 3.04 Å. In the third In site, In is bonded to eight Tb and four equivalent Ni atoms to form face-sharing InTb8Ni4 cuboctahedra.},
doi = {10.17188/1677072},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}