Materials Data on LaP2H2O9 by Materials Project

doi:10.17188/1284947

Title: Materials Data on LaP2H2O9 by Materials Project

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Abstract

LaP2H2O7O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and one LaP2H2O7 sheet oriented in the (1, 0, 0) direction. In the LaP2H2O7 sheet, La is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.38–2.66 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted tetrahedral geometry to one H and three O atoms. The P–H bond length is 1.41 Å. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. In the second P site, P is bonded in a distorted tetrahedral geometry to one H and three O atoms. The P–H bond length is 1.41 Å. There is two shorter (1.51 Å) and one longer (1.72 Å) P–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one P atom. In the second H site, H is bonded in a single-bond geometry to one P atom. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120more »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 21 00:00:00 EDT 2017

Other Number(s):: mp-696087

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; LaP2H2O9; H-La-O-P

OSTI Identifier:: 1284947

DOI:: https://doi.org/10.17188/1284947

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                    The Materials Project. Materials Data on LaP2H2O9 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1284947.

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                    The Materials Project. Materials Data on LaP2H2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284947

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                    The Materials Project. 2017.  
"Materials Data on LaP2H2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284947.  https://www.osti.gov/servlets/purl/1284947. Pub date:Fri Jul 21 00:00:00 EDT 2017

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@article{osti_1284947,

  title        = {Materials Data on LaP2H2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaP2H2O7O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and one LaP2H2O7 sheet oriented in the (1, 0, 0) direction. In the LaP2H2O7 sheet, La is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.38–2.66 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted tetrahedral geometry to one H and three O atoms. The P–H bond length is 1.41 Å. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. In the second P site, P is bonded in a distorted tetrahedral geometry to one H and three O atoms. The P–H bond length is 1.41 Å. There is two shorter (1.51 Å) and one longer (1.72 Å) P–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one P atom. In the second H site, H is bonded in a single-bond geometry to one P atom. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one La and one P atom. In the second O site, O is bonded in a distorted water-like geometry to one P and one O atom. The O–O bond length is 1.35 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one La and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one O atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent La and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent La and one P atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one La and one P atom.},

  doi          = {10.17188/1284947},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 21 00:00:00 EDT 2017},

  month        = {Fri Jul 21 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1284947

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