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Title: Materials Data on Re3Ge by Materials Project

Abstract

Re3Ge is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Ge atoms to form ReRe8Ge4 cuboctahedra that share corners with twelve equivalent ReRe8Ge4 cuboctahedra, edges with eight equivalent GeRe12 cuboctahedra, edges with sixteen ReRe8Ge4 cuboctahedra, faces with four equivalent GeRe12 cuboctahedra, and faces with fourteen ReRe8Ge4 cuboctahedra. There are four shorter (2.69 Å) and four longer (2.81 Å) Re–Re bond lengths. All Re–Ge bond lengths are 2.81 Å. In the second Re site, Re is bonded to eight equivalent Re and four equivalent Ge atoms to form ReRe8Ge4 cuboctahedra that share corners with four equivalent ReRe8Ge4 cuboctahedra, corners with eight equivalent GeRe12 cuboctahedra, edges with twenty-four ReRe8Ge4 cuboctahedra, faces with six equivalent GeRe12 cuboctahedra, and faces with twelve ReRe8Ge4 cuboctahedra. All Re–Ge bond lengths are 2.69 Å. Ge is bonded to twelve Re atoms to form GeRe12 cuboctahedra that share corners with four equivalent GeRe12 cuboctahedra, corners with eight equivalent ReRe8Ge4 cuboctahedra, edges with eight equivalent GeRe12 cuboctahedra, edges with sixteen equivalent ReRe8Ge4 cuboctahedra, faces with four equivalent GeRe12 cuboctahedra, and faces withmore » fourteen ReRe8Ge4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-974445
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; Re3Ge; Ge-Re
OSTI Identifier:
1314497
DOI:
10.17188/1314497

Citation Formats

The Materials Project. Materials Data on Re3Ge by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314497.
The Materials Project. Materials Data on Re3Ge by Materials Project. United States. doi:10.17188/1314497.
The Materials Project. 2020. "Materials Data on Re3Ge by Materials Project". United States. doi:10.17188/1314497. https://www.osti.gov/servlets/purl/1314497. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1314497,
title = {Materials Data on Re3Ge by Materials Project},
author = {The Materials Project},
abstractNote = {Re3Ge is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Ge atoms to form ReRe8Ge4 cuboctahedra that share corners with twelve equivalent ReRe8Ge4 cuboctahedra, edges with eight equivalent GeRe12 cuboctahedra, edges with sixteen ReRe8Ge4 cuboctahedra, faces with four equivalent GeRe12 cuboctahedra, and faces with fourteen ReRe8Ge4 cuboctahedra. There are four shorter (2.69 Å) and four longer (2.81 Å) Re–Re bond lengths. All Re–Ge bond lengths are 2.81 Å. In the second Re site, Re is bonded to eight equivalent Re and four equivalent Ge atoms to form ReRe8Ge4 cuboctahedra that share corners with four equivalent ReRe8Ge4 cuboctahedra, corners with eight equivalent GeRe12 cuboctahedra, edges with twenty-four ReRe8Ge4 cuboctahedra, faces with six equivalent GeRe12 cuboctahedra, and faces with twelve ReRe8Ge4 cuboctahedra. All Re–Ge bond lengths are 2.69 Å. Ge is bonded to twelve Re atoms to form GeRe12 cuboctahedra that share corners with four equivalent GeRe12 cuboctahedra, corners with eight equivalent ReRe8Ge4 cuboctahedra, edges with eight equivalent GeRe12 cuboctahedra, edges with sixteen equivalent ReRe8Ge4 cuboctahedra, faces with four equivalent GeRe12 cuboctahedra, and faces with fourteen ReRe8Ge4 cuboctahedra.},
doi = {10.17188/1314497},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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