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Title: Materials Data on SrMg6Mo by Materials Project

Abstract

SrMg6Mo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded to ten Mg and two equivalent Mo atoms to form SrMg10Mo2 cuboctahedra that share corners with four equivalent MgSr2Mg10 cuboctahedra, corners with six equivalent SrMg10Mo2 cuboctahedra, edges with two equivalent MgSr2Mg10 cuboctahedra, edges with four equivalent MoSr2Mg10 cuboctahedra, faces with two equivalent SrMg10Mo2 cuboctahedra, faces with two equivalent MgSr2Mg10 cuboctahedra, and faces with two equivalent MoSr2Mg10 cuboctahedra. There are a spread of Sr–Mg bond distances ranging from 3.16–3.40 Å. Both Sr–Mo bond lengths are 3.26 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Sr, eight Mg, and two equivalent Mo atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.52 Å. Both Mg–Mo bond lengths are 3.09 Å. In the second Mg site, Mg is bonded to two equivalent Sr and ten Mg atoms to form distorted MgSr2Mg10 cuboctahedra that share corners with four equivalent SrMg10Mo2 cuboctahedra, corners with six equivalent MgSr2Mg10 cuboctahedra, edges with two equivalent SrMg10Mo2 cuboctahedra, faces with two equivalent SrMg10Mo2 cuboctahedra, faces with two equivalent MgSr2Mg10 cuboctahedra, and faces with six equivalent MoSr2Mg10 cuboctahedra. Theremore » are four shorter (3.17 Å) and two longer (3.22 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Sr, six Mg, and two equivalent Mo atoms. There are one shorter (3.25 Å) and one longer (3.32 Å) Mg–Mg bond lengths. There are one shorter (3.02 Å) and one longer (3.54 Å) Mg–Mo bond lengths. In the fourth Mg site, Mg is bonded in a distorted linear geometry to ten Mg and two equivalent Mo atoms. Both Mg–Mo bond lengths are 3.29 Å. Mo is bonded to two equivalent Sr and ten Mg atoms to form MoSr2Mg10 cuboctahedra that share corners with six equivalent MoSr2Mg10 cuboctahedra, edges with four equivalent SrMg10Mo2 cuboctahedra, faces with two equivalent SrMg10Mo2 cuboctahedra, faces with two equivalent MoSr2Mg10 cuboctahedra, and faces with six equivalent MgSr2Mg10 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1016266
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; SrMg6Mo; Mg-Mo-Sr
OSTI Identifier:
1655617
DOI:
https://doi.org/10.17188/1655617

Citation Formats

The Materials Project. Materials Data on SrMg6Mo by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1655617.
The Materials Project. Materials Data on SrMg6Mo by Materials Project. United States. doi:https://doi.org/10.17188/1655617
The Materials Project. 2017. "Materials Data on SrMg6Mo by Materials Project". United States. doi:https://doi.org/10.17188/1655617. https://www.osti.gov/servlets/purl/1655617. Pub date:Fri Mar 31 00:00:00 EDT 2017
@article{osti_1655617,
title = {Materials Data on SrMg6Mo by Materials Project},
author = {The Materials Project},
abstractNote = {SrMg6Mo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded to ten Mg and two equivalent Mo atoms to form SrMg10Mo2 cuboctahedra that share corners with four equivalent MgSr2Mg10 cuboctahedra, corners with six equivalent SrMg10Mo2 cuboctahedra, edges with two equivalent MgSr2Mg10 cuboctahedra, edges with four equivalent MoSr2Mg10 cuboctahedra, faces with two equivalent SrMg10Mo2 cuboctahedra, faces with two equivalent MgSr2Mg10 cuboctahedra, and faces with two equivalent MoSr2Mg10 cuboctahedra. There are a spread of Sr–Mg bond distances ranging from 3.16–3.40 Å. Both Sr–Mo bond lengths are 3.26 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Sr, eight Mg, and two equivalent Mo atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.52 Å. Both Mg–Mo bond lengths are 3.09 Å. In the second Mg site, Mg is bonded to two equivalent Sr and ten Mg atoms to form distorted MgSr2Mg10 cuboctahedra that share corners with four equivalent SrMg10Mo2 cuboctahedra, corners with six equivalent MgSr2Mg10 cuboctahedra, edges with two equivalent SrMg10Mo2 cuboctahedra, faces with two equivalent SrMg10Mo2 cuboctahedra, faces with two equivalent MgSr2Mg10 cuboctahedra, and faces with six equivalent MoSr2Mg10 cuboctahedra. There are four shorter (3.17 Å) and two longer (3.22 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Sr, six Mg, and two equivalent Mo atoms. There are one shorter (3.25 Å) and one longer (3.32 Å) Mg–Mg bond lengths. There are one shorter (3.02 Å) and one longer (3.54 Å) Mg–Mo bond lengths. In the fourth Mg site, Mg is bonded in a distorted linear geometry to ten Mg and two equivalent Mo atoms. Both Mg–Mo bond lengths are 3.29 Å. Mo is bonded to two equivalent Sr and ten Mg atoms to form MoSr2Mg10 cuboctahedra that share corners with six equivalent MoSr2Mg10 cuboctahedra, edges with four equivalent SrMg10Mo2 cuboctahedra, faces with two equivalent SrMg10Mo2 cuboctahedra, faces with two equivalent MoSr2Mg10 cuboctahedra, and faces with six equivalent MgSr2Mg10 cuboctahedra.},
doi = {10.17188/1655617},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {3}
}