Materials Data on Na2BeGeO4 by Materials Project

doi:10.17188/1192966

Title: Materials Data on Na2BeGeO4 by Materials Project

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Abstract

Na2BeGeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.80 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.77 Å. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra and an edgeedge with one BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.62–1.69 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra. There is one shorter (1.75 Å) and three longer (1.79 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+, two equivalent Be2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+, one Be2+, and one Ge4+ atom. In the third O2-more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-18197

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; Na2BeGeO4; Be-Ge-Na-O

OSTI Identifier:: 1192966

DOI:: https://doi.org/10.17188/1192966

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                    The Materials Project. Materials Data on Na2BeGeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192966.

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                    The Materials Project. Materials Data on Na2BeGeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192966

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                    The Materials Project. 2020.  
"Materials Data on Na2BeGeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192966.  https://www.osti.gov/servlets/purl/1192966. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1192966,

  title        = {Materials Data on Na2BeGeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2BeGeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.80 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.77 Å. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra and an edgeedge with one BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.62–1.69 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra. There is one shorter (1.75 Å) and three longer (1.79 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+, two equivalent Be2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+, one Be2+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Na1+, one Be2+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Ge4+ atom.},

  doi          = {10.17188/1192966},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192966

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