Materials Data on Na3Al3Ge3O16 by Materials Project

doi:10.17188/1753729

Title: Materials Data on Na3Al3Ge3O16 by Materials Project

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Abstract

Na3Al3Ge3O16 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.30–2.81 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.78 Å. Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. There is one shorter (1.74 Å) and three longer (1.77 Å) Ge–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted hexagonal planar geometry to three equivalent Na and three equivalent O atoms. All O–O bond lengths are 1.70 Å. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one O atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Al and one Ge atom. In the fourth O site, O is bonded in a trigonal planar geometry to one Na, one Al, and one Ge atom. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1221445

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; Na3Al3Ge3O16; Al-Ge-Na-O

OSTI Identifier:: 1753729

DOI:: https://doi.org/10.17188/1753729

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                    The Materials Project. Materials Data on Na3Al3Ge3O16 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753729.

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                    The Materials Project. Materials Data on Na3Al3Ge3O16 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753729

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                    The Materials Project. 2020.  
"Materials Data on Na3Al3Ge3O16 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753729.  https://www.osti.gov/servlets/purl/1753729. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1753729,

  title        = {Materials Data on Na3Al3Ge3O16 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3Al3Ge3O16 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.30–2.81 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.78 Å. Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. There is one shorter (1.74 Å) and three longer (1.77 Å) Ge–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted hexagonal planar geometry to three equivalent Na and three equivalent O atoms. All O–O bond lengths are 1.70 Å. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one O atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Al and one Ge atom. In the fourth O site, O is bonded in a trigonal planar geometry to one Na, one Al, and one Ge atom. In the fifth O site, O is bonded in a trigonal planar geometry to one Na, one Al, and one Ge atom. In the sixth O site, O is bonded in a trigonal planar geometry to one Na, one Al, and one Ge atom.},

  doi          = {10.17188/1753729},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1753729

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