Materials Data on SrMg6Al by Materials Project

doi:10.17188/1724801

Title: Materials Data on SrMg6Al by Materials Project

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Abstract

SrMg6Al crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded to ten Mg and two equivalent Al atoms to form a mixture of corner and face-sharing SrMg10Al2 cuboctahedra. There are a spread of Sr–Mg bond distances ranging from 3.31–3.44 Å. Both Sr–Al bond lengths are 3.28 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Sr, eight Mg, and one Al atom. There are a spread of Mg–Mg bond distances ranging from 3.18–3.34 Å. The Mg–Al bond length is 3.28 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Sr, five Mg, and two equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.01–3.31 Å. Both Mg–Al bond lengths are 3.13 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Al atoms. Both Mg–Mg bond lengths are 3.28 Å. Both Mg–Al bond lengths are 3.29 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sr and eight Mg atoms. Al is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1099107

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; SrMg6Al; Al-Mg-Sr

OSTI Identifier:: 1724801

DOI:: https://doi.org/10.17188/1724801

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                    The Materials Project. Materials Data on SrMg6Al by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1724801.

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                    The Materials Project. Materials Data on SrMg6Al by Materials Project.  United States.  doi:https://doi.org/10.17188/1724801

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                    The Materials Project. 2020.  
"Materials Data on SrMg6Al by Materials Project".  United States.  doi:https://doi.org/10.17188/1724801.  https://www.osti.gov/servlets/purl/1724801. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1724801,

  title        = {Materials Data on SrMg6Al by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrMg6Al crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded to ten Mg and two equivalent Al atoms to form a mixture of corner and face-sharing SrMg10Al2 cuboctahedra. There are a spread of Sr–Mg bond distances ranging from 3.31–3.44 Å. Both Sr–Al bond lengths are 3.28 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Sr, eight Mg, and one Al atom. There are a spread of Mg–Mg bond distances ranging from 3.18–3.34 Å. The Mg–Al bond length is 3.28 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Sr, five Mg, and two equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.01–3.31 Å. Both Mg–Al bond lengths are 3.13 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Al atoms. Both Mg–Mg bond lengths are 3.28 Å. Both Mg–Al bond lengths are 3.29 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sr and eight Mg atoms. Al is bonded in a 10-coordinate geometry to two equivalent Sr and eight Mg atoms.},

  doi          = {10.17188/1724801},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1724801

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