Materials Data on Si2Ge3P6O25 by Materials Project

doi:10.17188/1269097

Title: Materials Data on Si2Ge3P6O25 by Materials Project

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Abstract

Ge3Si2P6O25 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.88 Å) and three longer (1.91 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Ge–O bond lengths are 1.88 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three equivalent PO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.63 Å) Si–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three GeO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 30–46°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ge4+ and one P5+more »« less

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-555982

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; Si2Ge3P6O25; Ge-O-P-Si

OSTI Identifier:: 1269097

DOI:: https://doi.org/10.17188/1269097

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                    The Materials Project. Materials Data on Si2Ge3P6O25 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269097.

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                    The Materials Project. Materials Data on Si2Ge3P6O25 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269097

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                    The Materials Project. 2020.  
"Materials Data on Si2Ge3P6O25 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269097.  https://www.osti.gov/servlets/purl/1269097. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1269097,

  title        = {Materials Data on Si2Ge3P6O25 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ge3Si2P6O25 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.88 Å) and three longer (1.91 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Ge–O bond lengths are 1.88 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three equivalent PO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.63 Å) Si–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three GeO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 30–46°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ge4+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Si4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P5+ atom.},

  doi          = {10.17188/1269097},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269097

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