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Title: Materials Data on Hf5Re24 by Materials Project

Abstract

Hf5Re24 crystallizes in the cubic I-43m 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 four equivalent Hf and twelve equivalent Re atoms. All Hf–Hf bond lengths are 3.14 Å. All Hf–Re bond lengths are 3.06 Å. In the second Hf site, Hf is bonded in a 3-coordinate geometry to one Hf and fifteen Re atoms. There are a spread of Hf–Re bond distances ranging from 2.79–3.24 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 1-coordinate geometry to two equivalent Hf and eleven Re atoms. There are a spread of Re–Re bond distances ranging from 2.56–2.93 Å. In the second Re site, Re is bonded to four Hf and eight Re atoms to form a mixture of distorted edge, corner, and face-sharing ReHf4Re8 cuboctahedra. There are one shorter (2.52 Å) and two longer (2.68 Å) Re–Re bond lengths.

Publication Date:
Other Number(s):
mp-567490
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; Hf5Re24; Hf-Re
OSTI Identifier:
1273897
DOI:
https://doi.org/10.17188/1273897

Citation Formats

The Materials Project. Materials Data on Hf5Re24 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273897.
The Materials Project. Materials Data on Hf5Re24 by Materials Project. United States. doi:https://doi.org/10.17188/1273897
The Materials Project. 2020. "Materials Data on Hf5Re24 by Materials Project". United States. doi:https://doi.org/10.17188/1273897. https://www.osti.gov/servlets/purl/1273897. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1273897,
title = {Materials Data on Hf5Re24 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf5Re24 crystallizes in the cubic I-43m 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 four equivalent Hf and twelve equivalent Re atoms. All Hf–Hf bond lengths are 3.14 Å. All Hf–Re bond lengths are 3.06 Å. In the second Hf site, Hf is bonded in a 3-coordinate geometry to one Hf and fifteen Re atoms. There are a spread of Hf–Re bond distances ranging from 2.79–3.24 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 1-coordinate geometry to two equivalent Hf and eleven Re atoms. There are a spread of Re–Re bond distances ranging from 2.56–2.93 Å. In the second Re site, Re is bonded to four Hf and eight Re atoms to form a mixture of distorted edge, corner, and face-sharing ReHf4Re8 cuboctahedra. There are one shorter (2.52 Å) and two longer (2.68 Å) Re–Re bond lengths.},
doi = {10.17188/1273897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}