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Title: Materials Data on RbMg6Mo by Materials Project

Abstract

RbMg6Mo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to twelve Mg atoms. There are a spread of Rb–Mg bond distances ranging from 3.17–3.63 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, four Mg, and two equivalent Mo atoms. There are a spread of Mg–Mg bond distances ranging from 3.18–3.40 Å. Both Mg–Mo bond lengths are 2.97 Å. In the second Mg site, Mg is bonded to two equivalent Rb and ten Mg atoms to form a mixture of distorted face and corner-sharing MgRb2Mg10 cuboctahedra. There are four shorter (3.10 Å) and two longer (3.39 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Rb, four Mg, and two equivalent Mo atoms. There are one shorter (3.06 Å) and one longer (3.26 Å) Mg–Mg bond lengths. There are one shorter (2.85 Å) and one longer (3.46 Å) Mg–Mo bond lengths. In the fourth Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, ten Mg, and two equivalent Mo atoms. Both Mg–Momore » bond lengths are 3.59 Å. Mo is bonded in a 8-coordinate geometry to ten Mg atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1100163
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; RbMg6Mo; Mg-Mo-Rb
OSTI Identifier:
1741874
DOI:
https://doi.org/10.17188/1741874

Citation Formats

The Materials Project. Materials Data on RbMg6Mo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741874.
The Materials Project. Materials Data on RbMg6Mo by Materials Project. United States. doi:https://doi.org/10.17188/1741874
The Materials Project. 2020. "Materials Data on RbMg6Mo by Materials Project". United States. doi:https://doi.org/10.17188/1741874. https://www.osti.gov/servlets/purl/1741874. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1741874,
title = {Materials Data on RbMg6Mo by Materials Project},
author = {The Materials Project},
abstractNote = {RbMg6Mo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to twelve Mg atoms. There are a spread of Rb–Mg bond distances ranging from 3.17–3.63 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, four Mg, and two equivalent Mo atoms. There are a spread of Mg–Mg bond distances ranging from 3.18–3.40 Å. Both Mg–Mo bond lengths are 2.97 Å. In the second Mg site, Mg is bonded to two equivalent Rb and ten Mg atoms to form a mixture of distorted face and corner-sharing MgRb2Mg10 cuboctahedra. There are four shorter (3.10 Å) and two longer (3.39 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Rb, four Mg, and two equivalent Mo atoms. There are one shorter (3.06 Å) and one longer (3.26 Å) Mg–Mg bond lengths. There are one shorter (2.85 Å) and one longer (3.46 Å) Mg–Mo bond lengths. In the fourth Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, ten Mg, and two equivalent Mo atoms. Both Mg–Mo bond lengths are 3.59 Å. Mo is bonded in a 8-coordinate geometry to ten Mg atoms.},
doi = {10.17188/1741874},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}