Materials Data on Sr3Mg by Materials Project

doi:10.17188/1690585

Title: Materials Data on Sr3Mg by Materials Project

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Abstract

Sr3Mg crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded to ten Sr and two equivalent Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr10Mg2 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.89–4.22 Å. Both Sr–Mg bond lengths are 3.90 Å. In the second Sr site, Sr is bonded to eight Sr and four equivalent Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr8Mg4 cuboctahedra. There are two shorter (4.01 Å) and two longer (4.22 Å) Sr–Sr bond lengths. All Sr–Mg bond lengths are 3.95 Å. In the third Sr site, Sr is bonded to eight Sr and four equivalent Mg atoms to form distorted SrSr8Mg4 cuboctahedra that share corners with ten equivalent SrSr8Mg4 cuboctahedra, edges with fourteen SrSr10Mg2 cuboctahedra, and faces with sixteen SrSr10Mg2 cuboctahedra. Both Sr–Sr bond lengths are 4.22 Å. There are two shorter (3.97 Å) and two longer (4.04 Å) Sr–Mg bond lengths. Mg is bonded in a 10-coordinate geometry to ten Sr atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1094976

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; Sr3Mg; Mg-Sr

OSTI Identifier:: 1690585

DOI:: https://doi.org/10.17188/1690585

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                    The Materials Project. Materials Data on Sr3Mg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1690585.

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                    The Materials Project. Materials Data on Sr3Mg by Materials Project.  United States.  doi:https://doi.org/10.17188/1690585

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                    The Materials Project. 2020.  
"Materials Data on Sr3Mg by Materials Project".  United States.  doi:https://doi.org/10.17188/1690585.  https://www.osti.gov/servlets/purl/1690585. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1690585,

  title        = {Materials Data on Sr3Mg by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3Mg crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded to ten Sr and two equivalent Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr10Mg2 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.89–4.22 Å. Both Sr–Mg bond lengths are 3.90 Å. In the second Sr site, Sr is bonded to eight Sr and four equivalent Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr8Mg4 cuboctahedra. There are two shorter (4.01 Å) and two longer (4.22 Å) Sr–Sr bond lengths. All Sr–Mg bond lengths are 3.95 Å. In the third Sr site, Sr is bonded to eight Sr and four equivalent Mg atoms to form distorted SrSr8Mg4 cuboctahedra that share corners with ten equivalent SrSr8Mg4 cuboctahedra, edges with fourteen SrSr10Mg2 cuboctahedra, and faces with sixteen SrSr10Mg2 cuboctahedra. Both Sr–Sr bond lengths are 4.22 Å. There are two shorter (3.97 Å) and two longer (4.04 Å) Sr–Mg bond lengths. Mg is bonded in a 10-coordinate geometry to ten Sr atoms.},

  doi          = {10.17188/1690585},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1690585

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