Materials Data on LaPO4 by Materials Project

doi:10.17188/1207679

Title: Materials Data on LaPO4 by Materials Project

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Abstract

LaPO4 crystallizes in the monoclinic P2_1/c 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 2.50–2.81 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are four 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 three equivalent La3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent 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.

Authors:: The Materials Project

Publication Date:: 2017-05-11

Other Number(s):: mp-3962

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; LaPO4; La-O-P

OSTI Identifier:: 1207679

DOI:: https://doi.org/10.17188/1207679

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                    The Materials Project. Materials Data on LaPO4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1207679.

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                    The Materials Project. Materials Data on LaPO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207679

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                    The Materials Project. 2017.  
"Materials Data on LaPO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207679.  https://www.osti.gov/servlets/purl/1207679. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1207679,

  title        = {Materials Data on LaPO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaPO4 crystallizes in the monoclinic P2_1/c 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 2.50–2.81 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are four 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 three equivalent La3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent 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.},

  doi          = {10.17188/1207679},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1207679

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