U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScCrGe2 by Materials Project
Abstract
ScCrGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.78–2.99 Å. In the second Sc site, Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.78–2.93 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.48–2.60 Å. In the second Cr site, Cr is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.56–2.58 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Sc, two equivalent Cr, and one Ge atom. The Ge–Ge bond length is 2.56 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sc, two equivalent Cr, and one Ge atom. The Ge–Ge bond length is 2.61more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1197663
- 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; ScCrGe2; Cr-Ge-Sc
- OSTI Identifier:
- 1716470
- DOI:
- https://doi.org/10.17188/1716470
Citation Formats
The Materials Project. Materials Data on ScCrGe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1716470.
The Materials Project. Materials Data on ScCrGe2 by Materials Project. United States. doi:https://doi.org/10.17188/1716470
The Materials Project. 2020.
"Materials Data on ScCrGe2 by Materials Project". United States. doi:https://doi.org/10.17188/1716470. https://www.osti.gov/servlets/purl/1716470. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1716470,
title = {Materials Data on ScCrGe2 by Materials Project},
author = {The Materials Project},
abstractNote = {ScCrGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.78–2.99 Å. In the second Sc site, Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.78–2.93 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.48–2.60 Å. In the second Cr site, Cr is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.56–2.58 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Sc, two equivalent Cr, and one Ge atom. The Ge–Ge bond length is 2.56 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sc, two equivalent Cr, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Sc and four Cr atoms. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Sc and four Cr atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Sc, three Cr, and one Ge atom. The Ge–Ge bond length is 2.61 Å.},
doi = {10.17188/1716470},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}