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Title: Materials Data on Re3Mo2 by Materials Project

Abstract

Mo2Re3 is beta Plutonium-derived structured and crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. there are five inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to one Mo and seven Re atoms. The Mo–Mo bond length is 3.02 Å. There are a spread of Mo–Re bond distances ranging from 2.64–3.03 Å. In the second Mo site, Mo is bonded in a 5-coordinate geometry to one Mo and seven Re atoms. The Mo–Mo bond length is 3.04 Å. There are a spread of Mo–Re bond distances ranging from 2.64–3.01 Å. In the third Mo site, Mo is bonded to two equivalent Mo and ten Re atoms to form distorted edge-sharing MoRe10Mo2 cuboctahedra. Both Mo–Mo bond lengths are 2.81 Å. There are a spread of Mo–Re bond distances ranging from 2.61–2.88 Å. In the fourth Mo site, Mo is bonded to twelve Re atoms to form edge-sharing MoRe12 cuboctahedra. There are a spread of Mo–Re bond distances ranging from 2.60–2.88 Å. In the fifth Mo site, Mo is bonded in a 2-coordinate geometry to five Mo and nine Re atoms. There are a spread of Mo–Re bond distances ranging from 2.52–3.21 Å.more » There are seven inequivalent Re sites. In the first Re site, Re is bonded in a 2-coordinate geometry to five Mo and eight Re atoms. There are a spread of Re–Re bond distances ranging from 2.98–3.10 Å. In the second Re site, Re is bonded in a 2-coordinate geometry to six Mo and six Re atoms. There are four shorter (2.99 Å) and two longer (3.22 Å) Re–Re bond lengths. In the third Re site, Re is bonded in a 12-coordinate geometry to six Mo and six Re atoms. There are a spread of Re–Re bond distances ranging from 2.65–2.83 Å. In the fourth Re site, Re is bonded in a 12-coordinate geometry to six Mo and six Re atoms. There are a spread of Re–Re bond distances ranging from 2.66–2.82 Å. In the fifth Re site, Re is bonded in a 11-coordinate geometry to five Mo and nine Re atoms. There are one shorter (2.52 Å) and one longer (2.54 Å) Re–Re bond lengths. In the sixth Re site, Re is bonded in a 2-coordinate geometry to three Mo and four Re atoms. In the seventh Re site, Re is bonded in a 11-coordinate geometry to five Mo and nine Re atoms.« less

Publication Date:
Other Number(s):
mp-1219297
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; Re3Mo2; Mo-Re
OSTI Identifier:
1727219
DOI:
https://doi.org/10.17188/1727219

Citation Formats

The Materials Project. Materials Data on Re3Mo2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727219.
The Materials Project. Materials Data on Re3Mo2 by Materials Project. United States. doi:https://doi.org/10.17188/1727219
The Materials Project. 2020. "Materials Data on Re3Mo2 by Materials Project". United States. doi:https://doi.org/10.17188/1727219. https://www.osti.gov/servlets/purl/1727219. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1727219,
title = {Materials Data on Re3Mo2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo2Re3 is beta Plutonium-derived structured and crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. there are five inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to one Mo and seven Re atoms. The Mo–Mo bond length is 3.02 Å. There are a spread of Mo–Re bond distances ranging from 2.64–3.03 Å. In the second Mo site, Mo is bonded in a 5-coordinate geometry to one Mo and seven Re atoms. The Mo–Mo bond length is 3.04 Å. There are a spread of Mo–Re bond distances ranging from 2.64–3.01 Å. In the third Mo site, Mo is bonded to two equivalent Mo and ten Re atoms to form distorted edge-sharing MoRe10Mo2 cuboctahedra. Both Mo–Mo bond lengths are 2.81 Å. There are a spread of Mo–Re bond distances ranging from 2.61–2.88 Å. In the fourth Mo site, Mo is bonded to twelve Re atoms to form edge-sharing MoRe12 cuboctahedra. There are a spread of Mo–Re bond distances ranging from 2.60–2.88 Å. In the fifth Mo site, Mo is bonded in a 2-coordinate geometry to five Mo and nine Re atoms. There are a spread of Mo–Re bond distances ranging from 2.52–3.21 Å. There are seven inequivalent Re sites. In the first Re site, Re is bonded in a 2-coordinate geometry to five Mo and eight Re atoms. There are a spread of Re–Re bond distances ranging from 2.98–3.10 Å. In the second Re site, Re is bonded in a 2-coordinate geometry to six Mo and six Re atoms. There are four shorter (2.99 Å) and two longer (3.22 Å) Re–Re bond lengths. In the third Re site, Re is bonded in a 12-coordinate geometry to six Mo and six Re atoms. There are a spread of Re–Re bond distances ranging from 2.65–2.83 Å. In the fourth Re site, Re is bonded in a 12-coordinate geometry to six Mo and six Re atoms. There are a spread of Re–Re bond distances ranging from 2.66–2.82 Å. In the fifth Re site, Re is bonded in a 11-coordinate geometry to five Mo and nine Re atoms. There are one shorter (2.52 Å) and one longer (2.54 Å) Re–Re bond lengths. In the sixth Re site, Re is bonded in a 2-coordinate geometry to three Mo and four Re atoms. In the seventh Re site, Re is bonded in a 11-coordinate geometry to five Mo and nine Re atoms.},
doi = {10.17188/1727219},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}