Materials Data on Sr4CaSi3 by Materials Project

doi:10.17188/1740590

Title: Materials Data on Sr4CaSi3 by Materials Project

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Abstract

Sr4CaSi3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Sr–Si bond distances ranging from 3.24–3.40 Å. Ca is bonded in a square co-planar geometry to four equivalent Si atoms. All Ca–Si bond lengths are 3.21 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr, two equivalent Ca, and one Si atom. The Si–Si bond length is 2.48 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to eight equivalent Sr atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1208721

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; Sr4CaSi3; Ca-Si-Sr

OSTI Identifier:: 1740590

DOI:: https://doi.org/10.17188/1740590

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                    The Materials Project. Materials Data on Sr4CaSi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740590.

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                    The Materials Project. Materials Data on Sr4CaSi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740590

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                    The Materials Project. 2020.  
"Materials Data on Sr4CaSi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740590.  https://www.osti.gov/servlets/purl/1740590. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740590,

  title        = {Materials Data on Sr4CaSi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr4CaSi3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Sr–Si bond distances ranging from 3.24–3.40 Å. Ca is bonded in a square co-planar geometry to four equivalent Si atoms. All Ca–Si bond lengths are 3.21 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr, two equivalent Ca, and one Si atom. The Si–Si bond length is 2.48 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to eight equivalent Sr atoms.},

  doi          = {10.17188/1740590},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740590

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