Materials Data on Sr2Cu(PO4)2 by Materials Project

doi:10.17188/1187476

Title: Materials Data on Sr2Cu(PO4)2 by Materials Project

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Abstract

Sr2Cu(PO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.95 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Cu2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent 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.

Publication Date:: Tue Jul 14 04:00:00 UTC 2020

Other Number(s):: mp-10950

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cu-O-P-Sr; Sr2Cu(PO4)2; crystal structure

OSTI Identifier:: 1187476

DOI:: https://doi.org/10.17188/1187476

Citation Formats


                    Materials Data on Sr2Cu(PO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187476.

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                    Materials Data on Sr2Cu(PO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187476

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                    2020.  
"Materials Data on Sr2Cu(PO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187476.  https://www.osti.gov/servlets/purl/1187476. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1187476,

  title        = {Materials Data on Sr2Cu(PO4)2 by Materials Project},

  
  abstractNote = {Sr2Cu(PO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.95 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Cu2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent 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.},

  doi          = {10.17188/1187476},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 04:00:00 UTC 2020},

  month        = {Tue Jul 14 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1187476

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