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Title: Materials Data on HfFeGe by Materials Project

Abstract

HfFeGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Fe and five Ge atoms. There are two shorter (2.91 Å) and four longer (3.01 Å) Hf–Fe bond lengths. There are four shorter (2.71 Å) and one longer (2.72 Å) Hf–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to six equivalent Hf, two equivalent Fe, and four Ge atoms. Both Fe–Fe bond lengths are 2.71 Å. There are two shorter (2.43 Å) and two longer (2.54 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to three equivalent Hf and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Fe atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-22191
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; HfFeGe; Fe-Ge-Hf
OSTI Identifier:
1197415
DOI:
10.17188/1197415

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on HfFeGe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197415.
Persson, Kristin, & Project, Materials. Materials Data on HfFeGe by Materials Project. United States. doi:10.17188/1197415.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on HfFeGe by Materials Project". United States. doi:10.17188/1197415. https://www.osti.gov/servlets/purl/1197415. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197415,
title = {Materials Data on HfFeGe by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HfFeGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Fe and five Ge atoms. There are two shorter (2.91 Å) and four longer (3.01 Å) Hf–Fe bond lengths. There are four shorter (2.71 Å) and one longer (2.72 Å) Hf–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to six equivalent Hf, two equivalent Fe, and four Ge atoms. Both Fe–Fe bond lengths are 2.71 Å. There are two shorter (2.43 Å) and two longer (2.54 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to three equivalent Hf and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Fe atoms.},
doi = {10.17188/1197415},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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