Materials Data on BaP2(HO)2 by Materials Project

doi:10.17188/1662290

Title: Materials Data on BaP2(HO)2 by Materials Project

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Abstract

BaP2(HO)2 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two BaP2(HO)2 sheets oriented in the (0, 1, 0) direction. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.07 Å. P1+ is bonded in a distorted single-bond geometry to one H and one O2- atom. The P–H bond length is 1.44 Å. The P–O bond length is 1.66 Å. H is bonded in a single-bond geometry to one P1+ atom. O2- is bonded in a 1-coordinate geometry to four equivalent Ba2+ and one P1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1214602

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; BaP2(HO)2; Ba-H-O-P

OSTI Identifier:: 1662290

DOI:: https://doi.org/10.17188/1662290

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                    The Materials Project. Materials Data on BaP2(HO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662290.

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                    The Materials Project. Materials Data on BaP2(HO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662290

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                    The Materials Project. 2020.  
"Materials Data on BaP2(HO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662290.  https://www.osti.gov/servlets/purl/1662290. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1662290,

  title        = {Materials Data on BaP2(HO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaP2(HO)2 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two BaP2(HO)2 sheets oriented in the (0, 1, 0) direction. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.07 Å. P1+ is bonded in a distorted single-bond geometry to one H and one O2- atom. The P–H bond length is 1.44 Å. The P–O bond length is 1.66 Å. H is bonded in a single-bond geometry to one P1+ atom. O2- is bonded in a 1-coordinate geometry to four equivalent Ba2+ and one P1+ atom.},

  doi          = {10.17188/1662290},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1662290

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