Materials Data on Sr10P6SO24 by Materials Project

doi:10.17188/1192510

Title: Materials Data on Sr10P6SO24 by Materials Project

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Abstract

Sr10P6SO24 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to one S2- and six O2- atoms. The Sr–S bond length is 3.05 Å. There are a spread of Sr–O bond distances ranging from 2.51–2.82 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.63–2.77 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.52 Å) and three longer (2.54 Å) Sr–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. All P–O bond lengths are 1.56 Å. S2- is bonded in a distorted octahedral geometry to six equivalent Sr2+ atoms. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distortedmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-17447

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; Sr10P6SO24; O-P-S-Sr

OSTI Identifier:: 1192510

DOI:: https://doi.org/10.17188/1192510

Citation Formats


                    The Materials Project. Materials Data on Sr10P6SO24 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192510.

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                    The Materials Project. Materials Data on Sr10P6SO24 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192510

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                    The Materials Project. 2020.  
"Materials Data on Sr10P6SO24 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192510.  https://www.osti.gov/servlets/purl/1192510. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1192510,

  title        = {Materials Data on Sr10P6SO24 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr10P6SO24 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to one S2- and six O2- atoms. The Sr–S bond length is 3.05 Å. There are a spread of Sr–O bond distances ranging from 2.51–2.82 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.63–2.77 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.52 Å) and three longer (2.54 Å) Sr–O bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. All P–O bond lengths are 1.56 Å. S2- is bonded in a distorted octahedral geometry to six equivalent Sr2+ atoms. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one P5+ atom.},

  doi          = {10.17188/1192510},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192510

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