Materials Data on P2O9 by Materials Project

doi:10.17188/1205548

Title: Materials Data on P2O9 by Materials Project

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Abstract

P2O9 is beta oxygen-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four P2O9 clusters. there are four inequivalent P sites. In the first P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There is one shorter (1.61 Å) and four longer (1.66 Å) P–O bond length. In the second P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.61–1.68 Å. In the third P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.62–1.67 Å. In the fourth P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.63–1.67 Å. There are eighteen inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the thirdmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-31272

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; P2O9; O-P

OSTI Identifier:: 1205548

DOI:: https://doi.org/10.17188/1205548

Citation Formats


                    The Materials Project. Materials Data on P2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205548.

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                    The Materials Project. Materials Data on P2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205548

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                    The Materials Project. 2020.  
"Materials Data on P2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205548.  https://www.osti.gov/servlets/purl/1205548. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1205548,

  title        = {Materials Data on P2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {P2O9 is beta oxygen-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four P2O9 clusters. there are four inequivalent P sites. In the first P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There is one shorter (1.61 Å) and four longer (1.66 Å) P–O bond length. In the second P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.61–1.68 Å. In the third P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.62–1.67 Å. In the fourth P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.63–1.67 Å. There are eighteen inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the eighth O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.47 Å. In the ninth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the eleventh O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.46 Å. In the twelfth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the fourteenth O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.47 Å. In the fifteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the seventeenth O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.47 Å. In the eighteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom.},

  doi          = {10.17188/1205548},

  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/10.17188/1205548

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