Materials Data on Sr2Mg3In5 by Materials Project

doi:10.17188/1711083

Title: Materials Data on Sr2Mg3In5 by Materials Project

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Abstract

Sr2Mg3In5 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.59 Å) and four longer (3.61 Å) Sr–In bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent In atoms to form a mixture of distorted corner and edge-sharing MgIn4 tetrahedra. All Mg–In bond lengths are 2.99 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.01 Å) and four longer (3.30 Å) Mg–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to four equivalent Sr, two equivalent Mg, and three In atoms. There are one shorter (2.89 Å) and two longer (3.01 Å) In–In bond lengths. In the second In site, In is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Mg, and one In atom. In the third In site, In is bonded in a 12-coordinate geometry to four equivalent Mg and four equivalent In atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1218786

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; Sr2Mg3In5; In-Mg-Sr

OSTI Identifier:: 1711083

DOI:: https://doi.org/10.17188/1711083

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                    The Materials Project. Materials Data on Sr2Mg3In5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711083.

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                    The Materials Project. Materials Data on Sr2Mg3In5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711083

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                    The Materials Project. 2020.  
"Materials Data on Sr2Mg3In5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711083.  https://www.osti.gov/servlets/purl/1711083. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1711083,

  title        = {Materials Data on Sr2Mg3In5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2Mg3In5 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.59 Å) and four longer (3.61 Å) Sr–In bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent In atoms to form a mixture of distorted corner and edge-sharing MgIn4 tetrahedra. All Mg–In bond lengths are 2.99 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.01 Å) and four longer (3.30 Å) Mg–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to four equivalent Sr, two equivalent Mg, and three In atoms. There are one shorter (2.89 Å) and two longer (3.01 Å) In–In bond lengths. In the second In site, In is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Mg, and one In atom. In the third In site, In is bonded in a 12-coordinate geometry to four equivalent Mg and four equivalent In atoms.},

  doi          = {10.17188/1711083},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711083

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