Materials Data on Cr3Ga4 by Materials Project
Abstract
Cr3Ga4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a cuboctahedral geometry to four equivalent Cr and eight Ga atoms. All Cr–Cr bond lengths are 2.53 Å. There are a spread of Cr–Ga bond distances ranging from 2.65–2.79 Å. In the second Cr site, Cr is bonded in a 7-coordinate geometry to one Cr and seven Ga atoms. The Cr–Cr bond length is 2.65 Å. There are a spread of Cr–Ga bond distances ranging from 2.49–2.53 Å. In the third Cr site, Cr is bonded in a 11-coordinate geometry to three Cr and eight Ga atoms. Both Cr–Cr bond lengths are 2.43 Å. There are a spread of Cr–Ga bond distances ranging from 2.55–2.80 Å. In the fourth Cr site, Cr is bonded in a 9-coordinate geometry to two Cr and seven Ga atoms. There are a spread of Cr–Ga bond distances ranging from 2.52–2.64 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to six Cr atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to fivemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-18654
- 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; Cr3Ga4; Cr-Ga
- OSTI Identifier:
- 1193316
- DOI:
- https://doi.org/10.17188/1193316
Citation Formats
The Materials Project. Materials Data on Cr3Ga4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193316.
The Materials Project. Materials Data on Cr3Ga4 by Materials Project. United States. doi:https://doi.org/10.17188/1193316
The Materials Project. 2020.
"Materials Data on Cr3Ga4 by Materials Project". United States. doi:https://doi.org/10.17188/1193316. https://www.osti.gov/servlets/purl/1193316. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1193316,
title = {Materials Data on Cr3Ga4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr3Ga4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a cuboctahedral geometry to four equivalent Cr and eight Ga atoms. All Cr–Cr bond lengths are 2.53 Å. There are a spread of Cr–Ga bond distances ranging from 2.65–2.79 Å. In the second Cr site, Cr is bonded in a 7-coordinate geometry to one Cr and seven Ga atoms. The Cr–Cr bond length is 2.65 Å. There are a spread of Cr–Ga bond distances ranging from 2.49–2.53 Å. In the third Cr site, Cr is bonded in a 11-coordinate geometry to three Cr and eight Ga atoms. Both Cr–Cr bond lengths are 2.43 Å. There are a spread of Cr–Ga bond distances ranging from 2.55–2.80 Å. In the fourth Cr site, Cr is bonded in a 9-coordinate geometry to two Cr and seven Ga atoms. There are a spread of Cr–Ga bond distances ranging from 2.52–2.64 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to six Cr atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to five Cr and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.93 Å. In the third Ga site, Ga is bonded in a 6-coordinate geometry to six Cr and one Ga atom. In the fourth Ga site, Ga is bonded in a 6-coordinate geometry to five Cr and two Ga atoms. The Ga–Ga bond length is 2.53 Å.},
doi = {10.17188/1193316},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}