Materials Data on Sr3TaGa3(SiO7)2 by Materials Project

doi:10.17188/1191608

Title: Materials Data on Sr3TaGa3(SiO7)2 by Materials Project

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Abstract

Sr3TaGa3Si2O14 is Esseneite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.96 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent GaO4 tetrahedra. All Ta–O bond lengths are 2.00 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent TaO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There is two shorter (1.85 Å) and two longer (1.88 Å) Ga–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent GaO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Ta5+, and one Ga3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Ga3+, and one Si4+ atom. In the thirdmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-16136

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; Sr3TaGa3(SiO7)2; Ga-O-Si-Sr-Ta

OSTI Identifier:: 1191608

DOI:: https://doi.org/10.17188/1191608

Citation Formats


                    The Materials Project. Materials Data on Sr3TaGa3(SiO7)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191608.

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                    The Materials Project. Materials Data on Sr3TaGa3(SiO7)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191608

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                    The Materials Project. 2020.  
"Materials Data on Sr3TaGa3(SiO7)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191608.  https://www.osti.gov/servlets/purl/1191608. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1191608,

  title        = {Materials Data on Sr3TaGa3(SiO7)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3TaGa3Si2O14 is Esseneite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.96 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent GaO4 tetrahedra. All Ta–O bond lengths are 2.00 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent TaO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There is two shorter (1.85 Å) and two longer (1.88 Å) Ga–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent GaO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Ta5+, and one Ga3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Ga3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one Si4+ atom.},

  doi          = {10.17188/1191608},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1191608

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