Materials Data on SnP2O9 by Materials Project

doi:10.17188/1730496

Title: Materials Data on SnP2O9 by Materials Project

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Abstract

(Sn(PO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Sn(PO4)2 sheets oriented in the (0, 0, 1) direction. In each Sn(PO4)2 sheet, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.05–2.08 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 35–43°. There is three shorter (1.54 Å) and one longer (1.57 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 30–44°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Sn and one P atom. In the second O site, O is bonded in a bent 150 degreesmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1209319

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; SnP2O9; O-P-Sn

OSTI Identifier:: 1730496

DOI:: https://doi.org/10.17188/1730496

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                    The Materials Project. Materials Data on SnP2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1730496.

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                    The Materials Project. Materials Data on SnP2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1730496

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                    The Materials Project. 2020.  
"Materials Data on SnP2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1730496.  https://www.osti.gov/servlets/purl/1730496. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1730496,

  title        = {Materials Data on SnP2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Sn(PO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Sn(PO4)2 sheets oriented in the (0, 0, 1) direction. In each Sn(PO4)2 sheet, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.05–2.08 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 35–43°. There is three shorter (1.54 Å) and one longer (1.57 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 30–44°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Sn and one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Sn and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Sn and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Sn and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one P atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Sn and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Sn and one P atom. In the eighth O site, O is bonded in a single-bond geometry to one P atom.},

  doi          = {10.17188/1730496},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1730496

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