U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr2Ga3Co by Materials Project
Abstract
Zr2CoGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to three equivalent Co and nine Ga atoms. There are two shorter (3.01 Å) and one longer (3.10 Å) Zr–Co bond lengths. There are a spread of Zr–Ga bond distances ranging from 2.86–3.06 Å. In the second Zr site, Zr is bonded in a 11-coordinate geometry to three equivalent Co and nine Ga atoms. There are one shorter (2.89 Å) and two longer (2.91 Å) Zr–Co bond lengths. There are a spread of Zr–Ga bond distances ranging from 2.87–3.31 Å. Co is bonded in a 10-coordinate geometry to six Zr and four Ga atoms. There are three shorter (2.39 Å) and one longer (2.56 Å) Co–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Zr, one Co, and three Ga atoms. There are two shorter (2.53 Å) and one longer (2.82 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Zr, two equivalent Co, and two Gamore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1215776
- 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; Zr2Ga3Co; Co-Ga-Zr
- OSTI Identifier:
- 1722171
- DOI:
- https://doi.org/10.17188/1722171
Citation Formats
The Materials Project. Materials Data on Zr2Ga3Co by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722171.
The Materials Project. Materials Data on Zr2Ga3Co by Materials Project. United States. doi:https://doi.org/10.17188/1722171
The Materials Project. 2020.
"Materials Data on Zr2Ga3Co by Materials Project". United States. doi:https://doi.org/10.17188/1722171. https://www.osti.gov/servlets/purl/1722171. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1722171,
title = {Materials Data on Zr2Ga3Co by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2CoGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to three equivalent Co and nine Ga atoms. There are two shorter (3.01 Å) and one longer (3.10 Å) Zr–Co bond lengths. There are a spread of Zr–Ga bond distances ranging from 2.86–3.06 Å. In the second Zr site, Zr is bonded in a 11-coordinate geometry to three equivalent Co and nine Ga atoms. There are one shorter (2.89 Å) and two longer (2.91 Å) Zr–Co bond lengths. There are a spread of Zr–Ga bond distances ranging from 2.87–3.31 Å. Co is bonded in a 10-coordinate geometry to six Zr and four Ga atoms. There are three shorter (2.39 Å) and one longer (2.56 Å) Co–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Zr, one Co, and three Ga atoms. There are two shorter (2.53 Å) and one longer (2.82 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Zr, two equivalent Co, and two Ga atoms. The Ga–Ga bond length is 2.61 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Zr, one Co, and three Ga atoms.},
doi = {10.17188/1722171},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}