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Title: Materials Data on Hf2Ga3Cu by Materials Project

Abstract

Hf2CuGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. There are two shorter (3.02 Å) and one longer (3.08 Å) Hf–Cu bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.85–3.20 Å. In the second Hf site, Hf is bonded in a 10-coordinate geometry to three equivalent Cu and nine Ga atoms. There are two shorter (2.90 Å) and one longer (2.95 Å) Hf–Cu bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.87–3.28 Å. Cu is bonded in a 10-coordinate geometry to six Hf and four Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.40–2.61 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Cu, and three Ga atoms. There are two shorter (2.52 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, two equivalent Cu, and two Ga atoms. Themore » Ga–Ga bond length is 2.56 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Cu, and three Ga atoms.« less

Publication Date:
Other Number(s):
mp-1223908
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; Hf2Ga3Cu; Cu-Ga-Hf
OSTI Identifier:
1663651
DOI:
https://doi.org/10.17188/1663651

Citation Formats

The Materials Project. Materials Data on Hf2Ga3Cu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663651.
The Materials Project. Materials Data on Hf2Ga3Cu by Materials Project. United States. doi:https://doi.org/10.17188/1663651
The Materials Project. 2020. "Materials Data on Hf2Ga3Cu by Materials Project". United States. doi:https://doi.org/10.17188/1663651. https://www.osti.gov/servlets/purl/1663651. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1663651,
title = {Materials Data on Hf2Ga3Cu by Materials Project},
author = {The Materials Project},
abstractNote = {Hf2CuGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. There are two shorter (3.02 Å) and one longer (3.08 Å) Hf–Cu bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.85–3.20 Å. In the second Hf site, Hf is bonded in a 10-coordinate geometry to three equivalent Cu and nine Ga atoms. There are two shorter (2.90 Å) and one longer (2.95 Å) Hf–Cu bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.87–3.28 Å. Cu is bonded in a 10-coordinate geometry to six Hf and four Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.40–2.61 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Cu, and three Ga atoms. There are two shorter (2.52 Å) and one longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, two equivalent Cu, and two Ga atoms. The Ga–Ga bond length is 2.56 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Hf, one Cu, and three Ga atoms.},
doi = {10.17188/1663651},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}