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Title: Materials Data on Hf5Sn4 by Materials Project

Abstract

Hf5Sn4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Hf–Sn bond lengths are 3.10 Å. In the second Hf site, Hf is bonded to seven Sn atoms to form a mixture of distorted face, edge, and corner-sharing HfSn7 pentagonal bipyramids. There are a spread of Hf–Sn bond distances ranging from 2.88–3.09 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Hf atoms to form distorted face-sharing SnHf6 octahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Hf atoms.

Publication Date:
Other Number(s):
mp-510691
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; Hf5Sn4; Hf-Sn
OSTI Identifier:
1263056
DOI:
https://doi.org/10.17188/1263056

Citation Formats

The Materials Project. Materials Data on Hf5Sn4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263056.
The Materials Project. Materials Data on Hf5Sn4 by Materials Project. United States. doi:https://doi.org/10.17188/1263056
The Materials Project. 2020. "Materials Data on Hf5Sn4 by Materials Project". United States. doi:https://doi.org/10.17188/1263056. https://www.osti.gov/servlets/purl/1263056. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1263056,
title = {Materials Data on Hf5Sn4 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf5Sn4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Hf–Sn bond lengths are 3.10 Å. In the second Hf site, Hf is bonded to seven Sn atoms to form a mixture of distorted face, edge, and corner-sharing HfSn7 pentagonal bipyramids. There are a spread of Hf–Sn bond distances ranging from 2.88–3.09 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Hf atoms to form distorted face-sharing SnHf6 octahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Hf atoms.},
doi = {10.17188/1263056},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}