Materials Data on SrP2(HO)4 by Materials Project

doi:10.17188/1200020

Title: Materials Data on SrP2(HO)4 by Materials Project

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Abstract

SrP2(HO)4 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two SrP2(HO)4 sheets oriented in the (1, 0, 0) direction. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.65–2.67 Å. P1+ is bonded in a distorted tetrahedral geometry to two H1+ and two O2- atoms. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.53 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P1+ atom.

Publication Date:: 2020-07-15

Other Number(s):: mp-24297

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; H-O-P-Sr; SrP2(HO)4; crystal structure

OSTI Identifier:: 1200020

DOI:: https://doi.org/10.17188/1200020

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                    Materials Data on SrP2(HO)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200020.

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                    Materials Data on SrP2(HO)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200020

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                    2020.  
"Materials Data on SrP2(HO)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200020.  https://www.osti.gov/servlets/purl/1200020. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1200020,

  title        = {Materials Data on SrP2(HO)4 by Materials Project},

  
  abstractNote = {SrP2(HO)4 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two SrP2(HO)4 sheets oriented in the (1, 0, 0) direction. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.65–2.67 Å. P1+ is bonded in a distorted tetrahedral geometry to two H1+ and two O2- atoms. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.53 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P1+ atom.},

  doi          = {10.17188/1200020},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1200020

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