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Title: Materials Data on Hf3Ge by Materials Project

Abstract

Hf3Ge is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to eight Hf and four equivalent Ge atoms to form distorted HfHf8Ge4 cuboctahedra that share corners with twelve equivalent HfHf8Ge4 cuboctahedra, edges with eight equivalent HfHf8Ge4 cuboctahedra, edges with eight equivalent GeHf12 cuboctahedra, faces with four equivalent GeHf12 cuboctahedra, and faces with ten equivalent HfHf8Ge4 cuboctahedra. There are four shorter (2.96 Å) and four longer (3.12 Å) Hf–Hf bond lengths. All Hf–Ge bond lengths are 3.12 Å. In the second Hf site, Hf is bonded in a square co-planar geometry to eight equivalent Hf and four equivalent Ge atoms. All Hf–Ge bond lengths are 2.96 Å. Ge is bonded to twelve Hf atoms to form GeHf12 cuboctahedra that share corners with four equivalent GeHf12 cuboctahedra, edges with eight equivalent GeHf12 cuboctahedra, edges with sixteen equivalent HfHf8Ge4 cuboctahedra, faces with four equivalent GeHf12 cuboctahedra, and faces with eight equivalent HfHf8Ge4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1184664
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; Hf3Ge; Ge-Hf
OSTI Identifier:
1654429
DOI:
https://doi.org/10.17188/1654429

Citation Formats

The Materials Project. Materials Data on Hf3Ge by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654429.
The Materials Project. Materials Data on Hf3Ge by Materials Project. United States. doi:https://doi.org/10.17188/1654429
The Materials Project. 2020. "Materials Data on Hf3Ge by Materials Project". United States. doi:https://doi.org/10.17188/1654429. https://www.osti.gov/servlets/purl/1654429. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1654429,
title = {Materials Data on Hf3Ge by Materials Project},
author = {The Materials Project},
abstractNote = {Hf3Ge is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to eight Hf and four equivalent Ge atoms to form distorted HfHf8Ge4 cuboctahedra that share corners with twelve equivalent HfHf8Ge4 cuboctahedra, edges with eight equivalent HfHf8Ge4 cuboctahedra, edges with eight equivalent GeHf12 cuboctahedra, faces with four equivalent GeHf12 cuboctahedra, and faces with ten equivalent HfHf8Ge4 cuboctahedra. There are four shorter (2.96 Å) and four longer (3.12 Å) Hf–Hf bond lengths. All Hf–Ge bond lengths are 3.12 Å. In the second Hf site, Hf is bonded in a square co-planar geometry to eight equivalent Hf and four equivalent Ge atoms. All Hf–Ge bond lengths are 2.96 Å. Ge is bonded to twelve Hf atoms to form GeHf12 cuboctahedra that share corners with four equivalent GeHf12 cuboctahedra, edges with eight equivalent GeHf12 cuboctahedra, edges with sixteen equivalent HfHf8Ge4 cuboctahedra, faces with four equivalent GeHf12 cuboctahedra, and faces with eight equivalent HfHf8Ge4 cuboctahedra.},
doi = {10.17188/1654429},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}