DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TbHo3Co8 by Materials Project

Abstract

Ho3TbCo8 is Cubic Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to four Ho and twelve Co atoms. There are three shorter (3.08 Å) and one longer (3.13 Å) Ho–Ho bond lengths. There are a spread of Ho–Co bond distances ranging from 2.94–2.97 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Ho, one Tb, and twelve Co atoms. The Ho–Tb bond length is 3.12 Å. There are a spread of Ho–Co bond distances ranging from 2.94–2.97 Å. In the third Ho site, Ho is bonded in a 12-coordinate geometry to one Ho, three equivalent Tb, and twelve Co atoms. All Ho–Tb bond lengths are 3.08 Å. There are a spread of Ho–Co bond distances ranging from 2.94–2.98 Å. Tb is bonded in a 12-coordinate geometry to four Ho and twelve Co atoms. There are a spread of Tb–Co bond distances ranging from 2.94–2.98 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ho, three equivalent Tb, and six Comore » atoms to form CoTb3Ho3Co6 cuboctahedra that share corners with eighteen CoHo6Co6 cuboctahedra, edges with six equivalent CoTb3Ho3Co6 cuboctahedra, and faces with eighteen CoTb2Ho4Co6 cuboctahedra. All Co–Co bond lengths are 2.54 Å. In the second Co site, Co is bonded to six Ho and six Co atoms to form CoHo6Co6 cuboctahedra that share corners with eighteen CoTb3Ho3Co6 cuboctahedra, edges with six equivalent CoHo6Co6 cuboctahedra, and faces with eighteen CoTb2Ho4Co6 cuboctahedra. All Co–Co bond lengths are 2.53 Å. In the third Co site, Co is bonded to four Ho, two equivalent Tb, and six Co atoms to form CoTb2Ho4Co6 cuboctahedra that share corners with eighteen CoTb3Ho3Co6 cuboctahedra, edges with six CoTb2Ho4Co6 cuboctahedra, and faces with eighteen CoTb3Ho3Co6 cuboctahedra. All Co–Co bond lengths are 2.51 Å. In the fourth Co site, Co is bonded to five Ho, one Tb, and six Co atoms to form CoTbHo5Co6 cuboctahedra that share corners with eighteen CoTb3Ho3Co6 cuboctahedra, edges with six CoTb2Ho4Co6 cuboctahedra, and faces with eighteen CoTb3Ho3Co6 cuboctahedra. All Co–Co bond lengths are 2.51 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1217507
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; TbHo3Co8; Co-Ho-Tb
OSTI Identifier:
1695854
DOI:
https://doi.org/10.17188/1695854

Citation Formats

The Materials Project. Materials Data on TbHo3Co8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1695854.
The Materials Project. Materials Data on TbHo3Co8 by Materials Project. United States. doi:https://doi.org/10.17188/1695854
The Materials Project. 2019. "Materials Data on TbHo3Co8 by Materials Project". United States. doi:https://doi.org/10.17188/1695854. https://www.osti.gov/servlets/purl/1695854. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1695854,
title = {Materials Data on TbHo3Co8 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho3TbCo8 is Cubic Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to four Ho and twelve Co atoms. There are three shorter (3.08 Å) and one longer (3.13 Å) Ho–Ho bond lengths. There are a spread of Ho–Co bond distances ranging from 2.94–2.97 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Ho, one Tb, and twelve Co atoms. The Ho–Tb bond length is 3.12 Å. There are a spread of Ho–Co bond distances ranging from 2.94–2.97 Å. In the third Ho site, Ho is bonded in a 12-coordinate geometry to one Ho, three equivalent Tb, and twelve Co atoms. All Ho–Tb bond lengths are 3.08 Å. There are a spread of Ho–Co bond distances ranging from 2.94–2.98 Å. Tb is bonded in a 12-coordinate geometry to four Ho and twelve Co atoms. There are a spread of Tb–Co bond distances ranging from 2.94–2.98 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ho, three equivalent Tb, and six Co atoms to form CoTb3Ho3Co6 cuboctahedra that share corners with eighteen CoHo6Co6 cuboctahedra, edges with six equivalent CoTb3Ho3Co6 cuboctahedra, and faces with eighteen CoTb2Ho4Co6 cuboctahedra. All Co–Co bond lengths are 2.54 Å. In the second Co site, Co is bonded to six Ho and six Co atoms to form CoHo6Co6 cuboctahedra that share corners with eighteen CoTb3Ho3Co6 cuboctahedra, edges with six equivalent CoHo6Co6 cuboctahedra, and faces with eighteen CoTb2Ho4Co6 cuboctahedra. All Co–Co bond lengths are 2.53 Å. In the third Co site, Co is bonded to four Ho, two equivalent Tb, and six Co atoms to form CoTb2Ho4Co6 cuboctahedra that share corners with eighteen CoTb3Ho3Co6 cuboctahedra, edges with six CoTb2Ho4Co6 cuboctahedra, and faces with eighteen CoTb3Ho3Co6 cuboctahedra. All Co–Co bond lengths are 2.51 Å. In the fourth Co site, Co is bonded to five Ho, one Tb, and six Co atoms to form CoTbHo5Co6 cuboctahedra that share corners with eighteen CoTb3Ho3Co6 cuboctahedra, edges with six CoTb2Ho4Co6 cuboctahedra, and faces with eighteen CoTb3Ho3Co6 cuboctahedra. All Co–Co bond lengths are 2.51 Å.},
doi = {10.17188/1695854},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}