U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThCo3 by Materials Project
Abstract
ThCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to twelve Co atoms. There are a spread of Th–Co bond distances ranging from 2.87–3.30 Å. In the second Th site, Th is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.87 Å) and twelve longer (3.21 Å) Th–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Th and seven Co atoms to form a mixture of distorted face, edge, and corner-sharing CoTh5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.47–2.63 Å. In the second Co site, Co is bonded to three equivalent Th and nine Co atoms to form distorted CoTh3Co9 cuboctahedra that share corners with eighteen CoTh5Co7 cuboctahedra, edges with six equivalent CoTh3Co9 cuboctahedra, and faces with twenty-two CoTh5Co7 cuboctahedra. All Co–Co bond lengths are 2.87 Å. In the third Co site, Co is bonded to six equivalent Th and six equivalent Co atoms to form CoTh6Co6 cuboctahedra that share corners with eighteen CoTh5Co7 cuboctahedra, edges withmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1102437
- 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; ThCo3; Co-Th
- OSTI Identifier:
- 1719721
- DOI:
- https://doi.org/10.17188/1719721
Citation Formats
The Materials Project. Materials Data on ThCo3 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1719721.
The Materials Project. Materials Data on ThCo3 by Materials Project. United States. doi:https://doi.org/10.17188/1719721
The Materials Project. 2018.
"Materials Data on ThCo3 by Materials Project". United States. doi:https://doi.org/10.17188/1719721. https://www.osti.gov/servlets/purl/1719721. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1719721,
title = {Materials Data on ThCo3 by Materials Project},
author = {The Materials Project},
abstractNote = {ThCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to twelve Co atoms. There are a spread of Th–Co bond distances ranging from 2.87–3.30 Å. In the second Th site, Th is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.87 Å) and twelve longer (3.21 Å) Th–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Th and seven Co atoms to form a mixture of distorted face, edge, and corner-sharing CoTh5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.47–2.63 Å. In the second Co site, Co is bonded to three equivalent Th and nine Co atoms to form distorted CoTh3Co9 cuboctahedra that share corners with eighteen CoTh5Co7 cuboctahedra, edges with six equivalent CoTh3Co9 cuboctahedra, and faces with twenty-two CoTh5Co7 cuboctahedra. All Co–Co bond lengths are 2.87 Å. In the third Co site, Co is bonded to six equivalent Th and six equivalent Co atoms to form CoTh6Co6 cuboctahedra that share corners with eighteen CoTh5Co7 cuboctahedra, edges with six equivalent CoTh6Co6 cuboctahedra, and faces with twenty CoTh5Co7 cuboctahedra.},
doi = {10.17188/1719721},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 18 00:00:00 EDT 2018},
month = {Wed Jul 18 00:00:00 EDT 2018}
}