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Title: Materials Data on Tb2Co7 by Materials Project

Abstract

Tb2Co7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are six inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Tb–Co bond distances ranging from 2.86–3.09 Å. In the fourth Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. In the fifth Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. In the sixth Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. There are eight inequivalent Co sites. In the first Co site, Co is bondedmore » to four Tb and eight Co atoms to form CoTb4Co8 cuboctahedra that share corners with sixteen CoTb4Co8 cuboctahedra, edges with ten CoTb4Co8 cuboctahedra, and faces with ten CoTb5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.48 Å. In the second Co site, Co is bonded to six equivalent Tb and six equivalent Co atoms to form CoTb6Co6 cuboctahedra that share corners with twelve equivalent CoTb5Co7 cuboctahedra, edges with six equivalent CoTb6Co6 cuboctahedra, and faces with eighteen equivalent CoTb5Co7 cuboctahedra. All Co–Co bond lengths are 2.52 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tb and six Co atoms. There are three shorter (2.43 Å) and three longer (2.44 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to four Tb and eight Co atoms to form a mixture of corner, edge, and face-sharing CoTb4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.48 Å. In the fifth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tb and six Co atoms. There are three shorter (2.42 Å) and two longer (2.45 Å) Co–Co bond lengths. In the sixth Co site, Co is bonded to four equivalent Tb and eight Co atoms to form a mixture of corner, edge, and face-sharing CoTb4Co8 cuboctahedra. There are two shorter (2.45 Å) and four longer (2.48 Å) Co–Co bond lengths. In the seventh Co site, Co is bonded to five Tb and seven Co atoms to form distorted CoTb5Co7 cuboctahedra that share corners with seventeen CoTb4Co8 cuboctahedra, edges with eight CoTb4Co8 cuboctahedra, and faces with fourteen CoTb6Co6 cuboctahedra. All Co–Co bond lengths are 2.48 Å. In the eighth Co site, Co is bonded to four Tb and eight Co atoms to form CoTb4Co8 cuboctahedra that share corners with sixteen CoTb5Co7 cuboctahedra, edges with ten CoTb4Co8 cuboctahedra, and faces with ten CoTb4Co8 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.48 Å) Co–Co bond lengths.« less

Publication Date:
Other Number(s):
mp-1205432
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; Tb2Co7; Co-Tb
OSTI Identifier:
1724855
DOI:
https://doi.org/10.17188/1724855

Citation Formats

The Materials Project. Materials Data on Tb2Co7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724855.
The Materials Project. Materials Data on Tb2Co7 by Materials Project. United States. doi:https://doi.org/10.17188/1724855
The Materials Project. 2020. "Materials Data on Tb2Co7 by Materials Project". United States. doi:https://doi.org/10.17188/1724855. https://www.osti.gov/servlets/purl/1724855. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1724855,
title = {Materials Data on Tb2Co7 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2Co7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are six inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Tb–Co bond distances ranging from 2.86–3.09 Å. In the fourth Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. In the fifth Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. In the sixth Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. There are eight inequivalent Co sites. In the first Co site, Co is bonded to four Tb and eight Co atoms to form CoTb4Co8 cuboctahedra that share corners with sixteen CoTb4Co8 cuboctahedra, edges with ten CoTb4Co8 cuboctahedra, and faces with ten CoTb5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.48 Å. In the second Co site, Co is bonded to six equivalent Tb and six equivalent Co atoms to form CoTb6Co6 cuboctahedra that share corners with twelve equivalent CoTb5Co7 cuboctahedra, edges with six equivalent CoTb6Co6 cuboctahedra, and faces with eighteen equivalent CoTb5Co7 cuboctahedra. All Co–Co bond lengths are 2.52 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tb and six Co atoms. There are three shorter (2.43 Å) and three longer (2.44 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to four Tb and eight Co atoms to form a mixture of corner, edge, and face-sharing CoTb4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.48 Å. In the fifth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tb and six Co atoms. There are three shorter (2.42 Å) and two longer (2.45 Å) Co–Co bond lengths. In the sixth Co site, Co is bonded to four equivalent Tb and eight Co atoms to form a mixture of corner, edge, and face-sharing CoTb4Co8 cuboctahedra. There are two shorter (2.45 Å) and four longer (2.48 Å) Co–Co bond lengths. In the seventh Co site, Co is bonded to five Tb and seven Co atoms to form distorted CoTb5Co7 cuboctahedra that share corners with seventeen CoTb4Co8 cuboctahedra, edges with eight CoTb4Co8 cuboctahedra, and faces with fourteen CoTb6Co6 cuboctahedra. All Co–Co bond lengths are 2.48 Å. In the eighth Co site, Co is bonded to four Tb and eight Co atoms to form CoTb4Co8 cuboctahedra that share corners with sixteen CoTb5Co7 cuboctahedra, edges with ten CoTb4Co8 cuboctahedra, and faces with ten CoTb4Co8 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.48 Å) Co–Co bond lengths.},
doi = {10.17188/1724855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}