Materials Data on NaNbGeO5 by Materials Project

doi:10.17188/1192366

Title: Materials Data on NaNbGeO5 by Materials Project

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Abstract

NaNbGeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.59 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Nb–O bond distances ranging from 1.83–2.23 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–56°. There is three shorter (1.77 Å) and one longer (1.78 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+, one Nb5+, and one Ge4+ atom to form distorted edge-sharing ONa2NbGe tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom. In the fourth O2- site, O2- ismore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-17164

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; NaNbGeO5; Ge-Na-Nb-O

OSTI Identifier:: 1192366

DOI:: https://doi.org/10.17188/1192366

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                    The Materials Project. Materials Data on NaNbGeO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192366.

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                    The Materials Project. Materials Data on NaNbGeO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192366

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                    The Materials Project. 2020.  
"Materials Data on NaNbGeO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192366.  https://www.osti.gov/servlets/purl/1192366. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1192366,

  title        = {Materials Data on NaNbGeO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaNbGeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.59 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Nb–O bond distances ranging from 1.83–2.23 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–56°. There is three shorter (1.77 Å) and one longer (1.78 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+, one Nb5+, and one Ge4+ atom to form distorted edge-sharing ONa2NbGe tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Nb5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one Ge4+ atom.},

  doi          = {10.17188/1192366},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192366

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