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Title: Materials Data on Tb2(InSn)3 by Materials Project

Abstract

Tb2(InSn)3 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Tb is bonded to six In and six Sn atoms to form TbIn6Sn6 cuboctahedra that share corners with twelve equivalent TbIn6Sn6 cuboctahedra, edges with twelve InTb4In2Sn6 cuboctahedra, edges with twelve SnTb4In4Sn4 cuboctahedra, faces with six equivalent TbIn6Sn6 cuboctahedra, faces with six InTb4In2Sn6 cuboctahedra, and faces with six SnTb4In4Sn4 cuboctahedra. There are four shorter (3.31 Å) and two longer (3.35 Å) Tb–In bond lengths. There are a spread of Tb–Sn bond distances ranging from 3.27–3.34 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Tb, two equivalent In, and six Sn atoms to form distorted InTb4In2Sn6 cuboctahedra that share corners with twelve equivalent InTb4In2Sn6 cuboctahedra, edges with four equivalent InTb4In4Sn4 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with twelve SnTb4In4Sn4 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with six SnTb4In4Sn4 cuboctahedra, and faces with eight InTb4In2Sn6 cuboctahedra. Both In–In bond lengths are 3.30 Å. There are a spread of In–Sn bond distances ranging from 3.31–3.33 Å. In the second In site, In is bonded to four equivalent Tb, four equivalent In, and fourmore » equivalent Sn atoms to form distorted InTb4In4Sn4 cuboctahedra that share corners with four equivalent InTb4In4Sn4 cuboctahedra, corners with eight equivalent SnTb4In4Sn4 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with eight equivalent InTb4In2Sn6 cuboctahedra, edges with eight equivalent SnTb4In4Sn4 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with six SnTb4In4Sn4 cuboctahedra, and faces with eight InTb4In2Sn6 cuboctahedra. All In–Sn bond lengths are 3.31 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Tb, four equivalent In, and four equivalent Sn atoms to form distorted SnTb4In4Sn4 cuboctahedra that share corners with four equivalent SnTb4In4Sn4 cuboctahedra, corners with eight equivalent InTb4In4Sn4 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with eight equivalent InTb4In2Sn6 cuboctahedra, edges with eight equivalent SnTb4In8 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with six InTb4In2Sn6 cuboctahedra, and faces with eight SnTb4In4Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.31 Å. In the second Sn site, Sn is bonded to four equivalent Tb and eight In atoms to form SnTb4In8 cuboctahedra that share corners with twelve SnTb4In8 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with eight equivalent InTb4In2Sn6 cuboctahedra, edges with eight equivalent SnTb4In4Sn4 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with six SnTb4In8 cuboctahedra, and faces with eight InTb4In2Sn6 cuboctahedra. In the third Sn site, Sn is bonded to four equivalent Tb, four equivalent In, and four equivalent Sn atoms to form distorted SnTb4In4Sn4 cuboctahedra that share corners with twelve SnTb4In8 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with sixteen InTb4In2Sn6 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with four equivalent InTb4In2Sn6 cuboctahedra, and faces with ten SnTb4In4Sn4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1217728
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; Tb2(InSn)3; In-Sn-Tb
OSTI Identifier:
1729482
DOI:
https://doi.org/10.17188/1729482

Citation Formats

The Materials Project. Materials Data on Tb2(InSn)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729482.
The Materials Project. Materials Data on Tb2(InSn)3 by Materials Project. United States. doi:https://doi.org/10.17188/1729482
The Materials Project. 2020. "Materials Data on Tb2(InSn)3 by Materials Project". United States. doi:https://doi.org/10.17188/1729482. https://www.osti.gov/servlets/purl/1729482. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1729482,
title = {Materials Data on Tb2(InSn)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2(InSn)3 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Tb is bonded to six In and six Sn atoms to form TbIn6Sn6 cuboctahedra that share corners with twelve equivalent TbIn6Sn6 cuboctahedra, edges with twelve InTb4In2Sn6 cuboctahedra, edges with twelve SnTb4In4Sn4 cuboctahedra, faces with six equivalent TbIn6Sn6 cuboctahedra, faces with six InTb4In2Sn6 cuboctahedra, and faces with six SnTb4In4Sn4 cuboctahedra. There are four shorter (3.31 Å) and two longer (3.35 Å) Tb–In bond lengths. There are a spread of Tb–Sn bond distances ranging from 3.27–3.34 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Tb, two equivalent In, and six Sn atoms to form distorted InTb4In2Sn6 cuboctahedra that share corners with twelve equivalent InTb4In2Sn6 cuboctahedra, edges with four equivalent InTb4In4Sn4 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with twelve SnTb4In4Sn4 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with six SnTb4In4Sn4 cuboctahedra, and faces with eight InTb4In2Sn6 cuboctahedra. Both In–In bond lengths are 3.30 Å. There are a spread of In–Sn bond distances ranging from 3.31–3.33 Å. In the second In site, In is bonded to four equivalent Tb, four equivalent In, and four equivalent Sn atoms to form distorted InTb4In4Sn4 cuboctahedra that share corners with four equivalent InTb4In4Sn4 cuboctahedra, corners with eight equivalent SnTb4In4Sn4 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with eight equivalent InTb4In2Sn6 cuboctahedra, edges with eight equivalent SnTb4In4Sn4 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with six SnTb4In4Sn4 cuboctahedra, and faces with eight InTb4In2Sn6 cuboctahedra. All In–Sn bond lengths are 3.31 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Tb, four equivalent In, and four equivalent Sn atoms to form distorted SnTb4In4Sn4 cuboctahedra that share corners with four equivalent SnTb4In4Sn4 cuboctahedra, corners with eight equivalent InTb4In4Sn4 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with eight equivalent InTb4In2Sn6 cuboctahedra, edges with eight equivalent SnTb4In8 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with six InTb4In2Sn6 cuboctahedra, and faces with eight SnTb4In4Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.31 Å. In the second Sn site, Sn is bonded to four equivalent Tb and eight In atoms to form SnTb4In8 cuboctahedra that share corners with twelve SnTb4In8 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with eight equivalent InTb4In2Sn6 cuboctahedra, edges with eight equivalent SnTb4In4Sn4 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with six SnTb4In8 cuboctahedra, and faces with eight InTb4In2Sn6 cuboctahedra. In the third Sn site, Sn is bonded to four equivalent Tb, four equivalent In, and four equivalent Sn atoms to form distorted SnTb4In4Sn4 cuboctahedra that share corners with twelve SnTb4In8 cuboctahedra, edges with eight equivalent TbIn6Sn6 cuboctahedra, edges with sixteen InTb4In2Sn6 cuboctahedra, faces with four equivalent TbIn6Sn6 cuboctahedra, faces with four equivalent InTb4In2Sn6 cuboctahedra, and faces with ten SnTb4In4Sn4 cuboctahedra.},
doi = {10.17188/1729482},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}