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Title: Materials Data on Tb11(In3Si2)2 by Materials Project

Abstract

Tb11Si4In6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent In and three Si atoms to form a mixture of distorted corner, edge, and face-sharing TbIn4Si3 pentagonal bipyramids. There are two shorter (3.37 Å) and two longer (3.45 Å) Tb–In bond lengths. There are a spread of Tb–Si bond distances ranging from 3.08–3.20 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to four In and three Si atoms. There are two shorter (3.11 Å) and two longer (3.36 Å) Tb–In bond lengths. There are two shorter (2.99 Å) and one longer (3.00 Å) Tb–Si bond lengths. In the third Tb site, Tb is bonded in a 7-coordinate geometry to three In and four Si atoms. There are one shorter (3.33 Å) and two longer (3.48 Å) Tb–In bond lengths. There are two shorter (2.83 Å) and two longer (3.33 Å) Tb–Si bond lengths. In the fourth Tb site, Tb is bonded in a 9-coordinate geometry to eight In and one Si atom. There are four shorter (3.36 Å) and four longer (3.46 Å) Tb–In bond lengths.more » The Tb–Si bond length is 3.50 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Tb and two In atoms. There are one shorter (2.94 Å) and one longer (3.06 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to seven Tb and four In atoms. Both In–In bond lengths are 2.99 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Tb atoms. In the third Si site, Si is bonded in a 8-coordinate geometry to eight Tb atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1204608
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; Tb11(In3Si2)2; In-Si-Tb
OSTI Identifier:
1758526
DOI:
https://doi.org/10.17188/1758526

Citation Formats

The Materials Project. Materials Data on Tb11(In3Si2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758526.
The Materials Project. Materials Data on Tb11(In3Si2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1758526
The Materials Project. 2020. "Materials Data on Tb11(In3Si2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1758526. https://www.osti.gov/servlets/purl/1758526. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758526,
title = {Materials Data on Tb11(In3Si2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb11Si4In6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent In and three Si atoms to form a mixture of distorted corner, edge, and face-sharing TbIn4Si3 pentagonal bipyramids. There are two shorter (3.37 Å) and two longer (3.45 Å) Tb–In bond lengths. There are a spread of Tb–Si bond distances ranging from 3.08–3.20 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to four In and three Si atoms. There are two shorter (3.11 Å) and two longer (3.36 Å) Tb–In bond lengths. There are two shorter (2.99 Å) and one longer (3.00 Å) Tb–Si bond lengths. In the third Tb site, Tb is bonded in a 7-coordinate geometry to three In and four Si atoms. There are one shorter (3.33 Å) and two longer (3.48 Å) Tb–In bond lengths. There are two shorter (2.83 Å) and two longer (3.33 Å) Tb–Si bond lengths. In the fourth Tb site, Tb is bonded in a 9-coordinate geometry to eight In and one Si atom. There are four shorter (3.36 Å) and four longer (3.46 Å) Tb–In bond lengths. The Tb–Si bond length is 3.50 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Tb and two In atoms. There are one shorter (2.94 Å) and one longer (3.06 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to seven Tb and four In atoms. Both In–In bond lengths are 2.99 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Tb atoms. In the third Si site, Si is bonded in a 8-coordinate geometry to eight Tb atoms.},
doi = {10.17188/1758526},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}