Materials Data on La2P3(HO3)3 by Materials Project

doi:10.17188/1666934

Title: Materials Data on La2P3(HO3)3 by Materials Project

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Abstract

La2P3(HO3)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.79 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one H1- and three O2- atoms. The P–H bond length is 1.40 Å. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. In the second P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one H1- and three O2- atoms. The P–H bond length is 1.41 Å. All P–O bond lengths are 1.54 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one P5+ atom. In the second H1- site, H1- is bonded in a single-bond geometry to one P5+ atom. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one P5+ atom.more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1195921

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; La2P3(HO3)3; H-La-O-P

OSTI Identifier:: 1666934

DOI:: https://doi.org/10.17188/1666934

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                    The Materials Project. Materials Data on La2P3(HO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1666934.

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                    The Materials Project. Materials Data on La2P3(HO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1666934

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                    The Materials Project. 2020.  
"Materials Data on La2P3(HO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1666934.  https://www.osti.gov/servlets/purl/1666934. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1666934,

  title        = {Materials Data on La2P3(HO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2P3(HO3)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.79 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one H1- and three O2- atoms. The P–H bond length is 1.40 Å. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. In the second P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one H1- and three O2- atoms. The P–H bond length is 1.41 Å. All P–O bond lengths are 1.54 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one P5+ atom. In the second H1- site, H1- is bonded in a single-bond geometry to one P5+ atom. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent La3+ and one P5+ atom.},

  doi          = {10.17188/1666934},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1666934

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