Materials Data on Na2TiGeO5 by Materials Project

doi:10.17188/1272937

Title: Materials Data on Na2TiGeO5 by Materials Project

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Abstract

Na2TiGeO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent GeO4 tetrahedra, and edges with four equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are four shorter (2.33 Å) and two longer (2.70 Å) Na–O bond lengths. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.72 Å) and four longer (2.01 Å) Ti–O bond length. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with eight equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ge–O bond lengths are 1.77 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Ti4+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Na1+ and one Ti4+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-6228

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; Na2TiGeO5; Ge-Na-O-Ti

OSTI Identifier:: 1272937

DOI:: https://doi.org/10.17188/1272937

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                    The Materials Project. Materials Data on Na2TiGeO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272937.

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                    The Materials Project. Materials Data on Na2TiGeO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272937

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                    The Materials Project. 2020.  
"Materials Data on Na2TiGeO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272937.  https://www.osti.gov/servlets/purl/1272937. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1272937,

  title        = {Materials Data on Na2TiGeO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2TiGeO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent GeO4 tetrahedra, and edges with four equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are four shorter (2.33 Å) and two longer (2.70 Å) Na–O bond lengths. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.72 Å) and four longer (2.01 Å) Ti–O bond length. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with eight equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ge–O bond lengths are 1.77 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Ti4+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Na1+ and one Ti4+ atom.},

  doi          = {10.17188/1272937},

  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/10.17188/1272937

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