Materials Data on MgPO7 by Materials Project

doi:10.17188/1693156

Title: Materials Data on MgPO7 by Materials Project

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Abstract

MgPO7 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two MgPO7 sheets oriented in the (0, 1, 0) direction. Mg is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.93–2.65 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Mg and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.28 Å) and one longer (1.33 Å) O–O bond length. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a linear geometry to one Mg and one P atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Mg and one O atom. In the sixth O site, O is bonded in a linear geometry to one Mg and onemore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1180549

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; MgPO7; Mg-O-P

OSTI Identifier:: 1693156

DOI:: https://doi.org/10.17188/1693156

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                    The Materials Project. Materials Data on MgPO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1693156.

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                    The Materials Project. Materials Data on MgPO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1693156

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                    The Materials Project. 2020.  
"Materials Data on MgPO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1693156.  https://www.osti.gov/servlets/purl/1693156. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1693156,

  title        = {Materials Data on MgPO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgPO7 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two MgPO7 sheets oriented in the (0, 1, 0) direction. Mg is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.93–2.65 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Mg and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.28 Å) and one longer (1.33 Å) O–O bond length. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a linear geometry to one Mg and one P atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Mg and one O atom. In the sixth O site, O is bonded in a linear geometry to one Mg and one P atom. In the seventh O site, O is bonded in a water-like geometry to one Mg and one O atom.},

  doi          = {10.17188/1693156},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1693156

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