Materials Data on SrMg6Fe by Materials Project

doi:10.17188/1751392

Title: Materials Data on SrMg6Fe by Materials Project

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Abstract

SrMg6Fe crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded to ten Mg and two equivalent Fe atoms to form a mixture of distorted face and corner-sharing SrMg10Fe2 cuboctahedra. There are a spread of Sr–Mg bond distances ranging from 3.22–3.68 Å. Both Sr–Fe bond lengths are 3.29 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Sr, four Mg, and one Fe atom. There are two shorter (3.01 Å) and two longer (3.18 Å) Mg–Mg bond lengths. The Mg–Fe bond length is 2.82 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to six Mg and two equivalent Fe atoms. There are two shorter (3.20 Å) and four longer (3.25 Å) Mg–Mg bond lengths. Both Mg–Fe bond lengths are 3.24 Å. In the third Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Sr, seven Mg, and two equivalent Fe atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.33 Å. Both Mg–Fe bond lengths are 3.02 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1099279

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; SrMg6Fe; Fe-Mg-Sr

OSTI Identifier:: 1751392

DOI:: https://doi.org/10.17188/1751392

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                    The Materials Project. Materials Data on SrMg6Fe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751392.

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                    The Materials Project. Materials Data on SrMg6Fe by Materials Project.  United States.  doi:https://doi.org/10.17188/1751392

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                    The Materials Project. 2020.  
"Materials Data on SrMg6Fe by Materials Project".  United States.  doi:https://doi.org/10.17188/1751392.  https://www.osti.gov/servlets/purl/1751392. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751392,

  title        = {Materials Data on SrMg6Fe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrMg6Fe crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded to ten Mg and two equivalent Fe atoms to form a mixture of distorted face and corner-sharing SrMg10Fe2 cuboctahedra. There are a spread of Sr–Mg bond distances ranging from 3.22–3.68 Å. Both Sr–Fe bond lengths are 3.29 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Sr, four Mg, and one Fe atom. There are two shorter (3.01 Å) and two longer (3.18 Å) Mg–Mg bond lengths. The Mg–Fe bond length is 2.82 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to six Mg and two equivalent Fe atoms. There are two shorter (3.20 Å) and four longer (3.25 Å) Mg–Mg bond lengths. Both Mg–Fe bond lengths are 3.24 Å. In the third Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Sr, seven Mg, and two equivalent Fe atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.33 Å. Both Mg–Fe bond lengths are 3.02 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sr and eight Mg atoms. Fe is bonded in a 10-coordinate geometry to two equivalent Sr and eight Mg atoms.},

  doi          = {10.17188/1751392},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751392

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