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

Title: Materials Data on Th2Co17 by Materials Project

Abstract

Th2Co17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Th–Co bond distances ranging from 3.01–3.24 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Th and ten Co atoms to form distorted CoTh2Co10 cuboctahedra that share corners with fourteen CoTh2Co10 cuboctahedra, edges with six CoTh3Co9 cuboctahedra, and faces with ten CoTh2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.57 Å. In the second Co site, Co is bonded to two equivalent Th and ten Co atoms to form distorted CoTh2Co10 cuboctahedra that share corners with fourteen CoTh2Co10 cuboctahedra, edges with six CoTh3Co9 cuboctahedra, and faces with ten CoTh2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.57 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Th and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.64 Å. In the fourth Co site, Co is bonded to three equivalent Th and nine Co atoms to form a mixture of corner, edge, and face-sharingmore » CoTh3Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.60 Å. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Th and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.31–2.66 Å. In the sixth Co site, Co is bonded in a 12-coordinate geometry to two equivalent Th and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.60 Å. In the seventh Co site, Co is bonded to three equivalent Th and nine Co atoms to form a mixture of corner, edge, and face-sharing CoTh3Co9 cuboctahedra. The Co–Co bond length is 2.47 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-16932
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; Th2Co17; Co-Th
OSTI Identifier:
1192245
DOI:
https://doi.org/10.17188/1192245

Citation Formats

The Materials Project. Materials Data on Th2Co17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192245.
The Materials Project. Materials Data on Th2Co17 by Materials Project. United States. doi:https://doi.org/10.17188/1192245
The Materials Project. 2020. "Materials Data on Th2Co17 by Materials Project". United States. doi:https://doi.org/10.17188/1192245. https://www.osti.gov/servlets/purl/1192245. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1192245,
title = {Materials Data on Th2Co17 by Materials Project},
author = {The Materials Project},
abstractNote = {Th2Co17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Th–Co bond distances ranging from 3.01–3.24 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Th and ten Co atoms to form distorted CoTh2Co10 cuboctahedra that share corners with fourteen CoTh2Co10 cuboctahedra, edges with six CoTh3Co9 cuboctahedra, and faces with ten CoTh2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.57 Å. In the second Co site, Co is bonded to two equivalent Th and ten Co atoms to form distorted CoTh2Co10 cuboctahedra that share corners with fourteen CoTh2Co10 cuboctahedra, edges with six CoTh3Co9 cuboctahedra, and faces with ten CoTh2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.57 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Th and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.64 Å. In the fourth Co site, Co is bonded to three equivalent Th and nine Co atoms to form a mixture of corner, edge, and face-sharing CoTh3Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.60 Å. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Th and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.31–2.66 Å. In the sixth Co site, Co is bonded in a 12-coordinate geometry to two equivalent Th and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.60 Å. In the seventh Co site, Co is bonded to three equivalent Th and nine Co atoms to form a mixture of corner, edge, and face-sharing CoTh3Co9 cuboctahedra. The Co–Co bond length is 2.47 Å.},
doi = {10.17188/1192245},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}