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Title: Materials Data on Tb13Zn58 by Materials Project

Abstract

Tb13Zn58 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to fourteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 2.88–3.50 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to fifteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.03–3.32 Å. In the third Tb site, Tb is bonded in a 6-coordinate geometry to thirteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 2.97–3.23 Å. In the fourth Tb site, Tb is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.02–3.22 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.53–2.65 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Tb and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–3.00 Å. In the third Znmore » site, Zn is bonded in a 10-coordinate geometry to four Tb and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.69 Å. In the fourth Zn site, Zn is bonded to two equivalent Tb and ten Zn atoms to form face-sharing ZnTb2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.67–2.73 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to four Tb and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.75 Å. In the sixth Zn site, Zn is bonded in a 9-coordinate geometry to three Tb and six Zn atoms. There are two shorter (2.58 Å) and two longer (2.88 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded in a 7-coordinate geometry to three Tb and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–3.03 Å. In the eighth Zn site, Zn is bonded in a 8-coordinate geometry to four Tb and five Zn atoms. In the ninth Zn site, Zn is bonded in a 10-coordinate geometry to three Tb and seven Zn atoms. There are one shorter (2.61 Å) and two longer (2.79 Å) Zn–Zn bond lengths. In the tenth Zn site, Zn is bonded in a 11-coordinate geometry to five Tb and six equivalent Zn atoms. In the eleventh Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Zn atoms. In the twelfth Zn site, Zn is bonded to three equivalent Tb and nine Zn atoms to form face-sharing ZnTb3Zn9 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1201388
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; Tb13Zn58; Tb-Zn
OSTI Identifier:
1745936
DOI:
https://doi.org/10.17188/1745936

Citation Formats

The Materials Project. Materials Data on Tb13Zn58 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1745936.
The Materials Project. Materials Data on Tb13Zn58 by Materials Project. United States. doi:https://doi.org/10.17188/1745936
The Materials Project. 2019. "Materials Data on Tb13Zn58 by Materials Project". United States. doi:https://doi.org/10.17188/1745936. https://www.osti.gov/servlets/purl/1745936. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1745936,
title = {Materials Data on Tb13Zn58 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb13Zn58 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to fourteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 2.88–3.50 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to fifteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.03–3.32 Å. In the third Tb site, Tb is bonded in a 6-coordinate geometry to thirteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 2.97–3.23 Å. In the fourth Tb site, Tb is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.02–3.22 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.53–2.65 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Tb and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–3.00 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four Tb and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.69 Å. In the fourth Zn site, Zn is bonded to two equivalent Tb and ten Zn atoms to form face-sharing ZnTb2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.67–2.73 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to four Tb and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.75 Å. In the sixth Zn site, Zn is bonded in a 9-coordinate geometry to three Tb and six Zn atoms. There are two shorter (2.58 Å) and two longer (2.88 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded in a 7-coordinate geometry to three Tb and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–3.03 Å. In the eighth Zn site, Zn is bonded in a 8-coordinate geometry to four Tb and five Zn atoms. In the ninth Zn site, Zn is bonded in a 10-coordinate geometry to three Tb and seven Zn atoms. There are one shorter (2.61 Å) and two longer (2.79 Å) Zn–Zn bond lengths. In the tenth Zn site, Zn is bonded in a 11-coordinate geometry to five Tb and six equivalent Zn atoms. In the eleventh Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Zn atoms. In the twelfth Zn site, Zn is bonded to three equivalent Tb and nine Zn atoms to form face-sharing ZnTb3Zn9 cuboctahedra.},
doi = {10.17188/1745936},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}