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Title: Materials Data on Mg3ReH7 by Materials Project

Abstract

Mg3ReH7 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to four H atoms. There are one shorter (1.93 Å) and three longer (2.24 Å) Mg–H bond lengths. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six equivalent H atoms. All Mg–H bond lengths are 2.15 Å. Re is bonded in an octahedral geometry to six equivalent H atoms. All Re–H bond lengths are 1.76 Å. There are two inequivalent H sites. In the first H site, H is bonded in a 3-coordinate geometry to two Mg and one Re atom. In the second H site, H is bonded in a linear geometry to two equivalent Mg atoms.

Publication Date:
Other Number(s):
mp-643061
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; Mg3ReH7; H-Mg-Re
OSTI Identifier:
1280250
DOI:
10.17188/1280250

Citation Formats

The Materials Project. Materials Data on Mg3ReH7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280250.
The Materials Project. Materials Data on Mg3ReH7 by Materials Project. United States. doi:10.17188/1280250.
The Materials Project. 2020. "Materials Data on Mg3ReH7 by Materials Project". United States. doi:10.17188/1280250. https://www.osti.gov/servlets/purl/1280250. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280250,
title = {Materials Data on Mg3ReH7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3ReH7 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to four H atoms. There are one shorter (1.93 Å) and three longer (2.24 Å) Mg–H bond lengths. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six equivalent H atoms. All Mg–H bond lengths are 2.15 Å. Re is bonded in an octahedral geometry to six equivalent H atoms. All Re–H bond lengths are 1.76 Å. There are two inequivalent H sites. In the first H site, H is bonded in a 3-coordinate geometry to two Mg and one Re atom. In the second H site, H is bonded in a linear geometry to two equivalent Mg atoms.},
doi = {10.17188/1280250},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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