Materials Data on Sr3SiO5 by Materials Project

doi:10.17188/1316168

Title: Materials Data on Sr3SiO5 by Materials Project

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Abstract

Sr3SiO5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are two shorter (2.73 Å) and eight longer (2.89 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.81 Å. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six Sr2+ atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Sr2+ and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-979932

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; Sr3SiO5; O-Si-Sr

OSTI Identifier:: 1316168

DOI:: https://doi.org/10.17188/1316168

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                    The Materials Project. Materials Data on Sr3SiO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316168.

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                    The Materials Project. Materials Data on Sr3SiO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316168

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                    The Materials Project. 2020.  
"Materials Data on Sr3SiO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316168.  https://www.osti.gov/servlets/purl/1316168. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1316168,

  title        = {Materials Data on Sr3SiO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3SiO5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are two shorter (2.73 Å) and eight longer (2.89 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.81 Å. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six Sr2+ atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Sr2+ and one Si4+ atom.},

  doi          = {10.17188/1316168},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316168

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