U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfScGe4 by Materials Project
Abstract
ScHfGe4 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.79–3.12 Å. Hf is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Hf–Ge bond distances ranging from 2.79–3.13 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Sc, two equivalent Hf, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to two equivalent Sc, four equivalent Hf, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Sc, two equivalent Hf, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.71 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Sc, two equivalent Hf, and four equivalent Ge atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1224337
- 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; HfScGe4; Ge-Hf-Sc
- OSTI Identifier:
- 1754006
- DOI:
- https://doi.org/10.17188/1754006
Citation Formats
The Materials Project. Materials Data on HfScGe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1754006.
The Materials Project. Materials Data on HfScGe4 by Materials Project. United States. doi:https://doi.org/10.17188/1754006
The Materials Project. 2020.
"Materials Data on HfScGe4 by Materials Project". United States. doi:https://doi.org/10.17188/1754006. https://www.osti.gov/servlets/purl/1754006. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1754006,
title = {Materials Data on HfScGe4 by Materials Project},
author = {The Materials Project},
abstractNote = {ScHfGe4 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.79–3.12 Å. Hf is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Hf–Ge bond distances ranging from 2.79–3.13 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Sc, two equivalent Hf, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to two equivalent Sc, four equivalent Hf, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Sc, two equivalent Hf, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.71 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Sc, two equivalent Hf, and four equivalent Ge atoms.},
doi = {10.17188/1754006},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}