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Title: 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.

Publication Date:
Other Number(s):
mp-1224337
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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 = {2020},
month = {5}
}