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Title: Materials Data on HfGa2 by Materials Project

Abstract

HfGa2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Hf is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Hf–Ga bond distances ranging from 2.80–3.00 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Hf and four equivalent Ga atoms. There are two shorter (3.03 Å) and two longer (3.06 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Hf and six Ga atoms. Both Ga–Ga bond lengths are 2.77 Å.

Publication Date:
Other Number(s):
mp-11440
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; HfGa2; Ga-Hf
OSTI Identifier:
1187832
DOI:
https://doi.org/10.17188/1187832

Citation Formats

The Materials Project. Materials Data on HfGa2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187832.
The Materials Project. Materials Data on HfGa2 by Materials Project. United States. doi:https://doi.org/10.17188/1187832
The Materials Project. 2020. "Materials Data on HfGa2 by Materials Project". United States. doi:https://doi.org/10.17188/1187832. https://www.osti.gov/servlets/purl/1187832. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187832,
title = {Materials Data on HfGa2 by Materials Project},
author = {The Materials Project},
abstractNote = {HfGa2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Hf is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Hf–Ga bond distances ranging from 2.80–3.00 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Hf and four equivalent Ga atoms. There are two shorter (3.03 Å) and two longer (3.06 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Hf and six Ga atoms. Both Ga–Ga bond lengths are 2.77 Å.},
doi = {10.17188/1187832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}