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Title: Materials Data on Hf2GaSb3 by Materials Project

Abstract

Hf2GaSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Hf is bonded in a 9-coordinate geometry to two equivalent Ga and seven Sb atoms. Both Hf–Ga bond lengths are 3.00 Å. There are a spread of Hf–Sb bond distances ranging from 2.98–3.09 Å. Ga is bonded to four equivalent Hf and four equivalent Sb atoms to form distorted GaHf4Sb4 hexagonal bipyramids that share corners with four equivalent GaHf4Sb4 hexagonal bipyramids, edges with four equivalent SbHf4Ga4 hexagonal bipyramids, and faces with four equivalent GaHf4Sb4 hexagonal bipyramids. All Ga–Sb bond lengths are 2.78 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 5-coordinate geometry to five equivalent Hf atoms. In the second Sb site, Sb is bonded to four equivalent Hf and four equivalent Ga atoms to form distorted SbHf4Ga4 hexagonal bipyramids that share corners with four equivalent SbHf4Ga4 hexagonal bipyramids, edges with four equivalent GaHf4Sb4 hexagonal bipyramids, and faces with four equivalent SbHf4Ga4 hexagonal bipyramids.

Publication Date:
Other Number(s):
mp-1018709
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; Hf2GaSb3; Ga-Hf-Sb
OSTI Identifier:
1350471
DOI:
10.17188/1350471

Citation Formats

The Materials Project. Materials Data on Hf2GaSb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350471.
The Materials Project. Materials Data on Hf2GaSb3 by Materials Project. United States. doi:10.17188/1350471.
The Materials Project. 2020. "Materials Data on Hf2GaSb3 by Materials Project". United States. doi:10.17188/1350471. https://www.osti.gov/servlets/purl/1350471. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1350471,
title = {Materials Data on Hf2GaSb3 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf2GaSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Hf is bonded in a 9-coordinate geometry to two equivalent Ga and seven Sb atoms. Both Hf–Ga bond lengths are 3.00 Å. There are a spread of Hf–Sb bond distances ranging from 2.98–3.09 Å. Ga is bonded to four equivalent Hf and four equivalent Sb atoms to form distorted GaHf4Sb4 hexagonal bipyramids that share corners with four equivalent GaHf4Sb4 hexagonal bipyramids, edges with four equivalent SbHf4Ga4 hexagonal bipyramids, and faces with four equivalent GaHf4Sb4 hexagonal bipyramids. All Ga–Sb bond lengths are 2.78 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 5-coordinate geometry to five equivalent Hf atoms. In the second Sb site, Sb is bonded to four equivalent Hf and four equivalent Ga atoms to form distorted SbHf4Ga4 hexagonal bipyramids that share corners with four equivalent SbHf4Ga4 hexagonal bipyramids, edges with four equivalent GaHf4Sb4 hexagonal bipyramids, and faces with four equivalent SbHf4Ga4 hexagonal bipyramids.},
doi = {10.17188/1350471},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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