Materials Data on Ge2N2O by Materials Project

doi:10.17188/1305310

Title: Materials Data on Ge2N2O by Materials Project

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Abstract

Ge2N2O is beta indium sulfide-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are six inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–58°. All Ge–N bond lengths are 1.90 Å. In the second Ge4+ site, Ge4+ is bonded to three equivalent N3- and three equivalent O2- atoms to form GeN3O3 octahedra that share corners with three equivalent GeN4 tetrahedra and edges with six GeN4O2 octahedra. All Ge–N bond lengths are 2.01 Å. All Ge–O bond lengths are 1.95 Å. In the third Ge4+ site, Ge4+ is bonded to four equivalent N3- and two equivalent O2- atoms to form GeN4O2 octahedra that share corners with four equivalent GeN4 tetrahedra and edges with six GeN3O3 octahedra. All Ge–N bond lengths are 2.03 Å. Both Ge–O bond lengths are 1.93 Å. In the fourth Ge4+ site, Ge4+ is bonded to four N3- and two equivalent O2- atoms to form GeN4O2 octahedra that share corners with four GeN4 tetrahedra and edges with six GeN3O3 octahedra. There are a spread of Ge–N bond distances ranging from 1.99–2.02 Å. Bothmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-777843

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; Ge2N2O; Ge-N-O

OSTI Identifier:: 1305310

DOI:: https://doi.org/10.17188/1305310

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                    The Materials Project. Materials Data on Ge2N2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1305310.

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                    The Materials Project. Materials Data on Ge2N2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1305310

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                    The Materials Project. 2020.  
"Materials Data on Ge2N2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1305310.  https://www.osti.gov/servlets/purl/1305310. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1305310,

  title        = {Materials Data on Ge2N2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ge2N2O is beta indium sulfide-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are six inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–58°. All Ge–N bond lengths are 1.90 Å. In the second Ge4+ site, Ge4+ is bonded to three equivalent N3- and three equivalent O2- atoms to form GeN3O3 octahedra that share corners with three equivalent GeN4 tetrahedra and edges with six GeN4O2 octahedra. All Ge–N bond lengths are 2.01 Å. All Ge–O bond lengths are 1.95 Å. In the third Ge4+ site, Ge4+ is bonded to four equivalent N3- and two equivalent O2- atoms to form GeN4O2 octahedra that share corners with four equivalent GeN4 tetrahedra and edges with six GeN3O3 octahedra. All Ge–N bond lengths are 2.03 Å. Both Ge–O bond lengths are 1.93 Å. In the fourth Ge4+ site, Ge4+ is bonded to four N3- and two equivalent O2- atoms to form GeN4O2 octahedra that share corners with four GeN4 tetrahedra and edges with six GeN3O3 octahedra. There are a spread of Ge–N bond distances ranging from 1.99–2.02 Å. Both Ge–O bond lengths are 1.94 Å. In the fifth Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–58°. There is one shorter (1.89 Å) and three longer (1.92 Å) Ge–N bond length. In the sixth Ge4+ site, Ge4+ is bonded to six equivalent N3- atoms to form GeN6 octahedra that share corners with six equivalent GeN4 tetrahedra and edges with six equivalent GeN4O2 octahedra. All Ge–N bond lengths are 2.02 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to four Ge4+ atoms. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to four Ge4+ atoms. In the third N3- site, N3- is bonded to four Ge4+ atoms to form a mixture of distorted edge and corner-sharing NGe4 trigonal pyramids. In the fourth N3- site, N3- is bonded to four Ge4+ atoms to form distorted edge-sharing NGe4 trigonal pyramids. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Ge4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge4+ atoms.},

  doi          = {10.17188/1305310},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1305310

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Materials Data on Ge2N2O by Materials Project

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Ge2N2O crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ge4+ is bonded to three equivalent N3- and one O2- atom to form corner-sharing GeN3O tetrahedra. There is one shorter (1.84 Å) and two longer (1.85 Å) Ge–N bond length. The Ge–O bond length is 1.78 Å. N3- is bonded in a trigonal planar geometry to three equivalent Ge4+ atoms. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ge4+ atoms.
Materials Data on Ge2N2O by Materials Project

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Ge2N2O is beta indium sulfide-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four equivalent N3- and two equivalent O2- atoms to form GeN4O2 octahedra that share corners with four equivalent GeN4 tetrahedra and edges with six GeN4O2 octahedra. All Ge–N bond lengths are 2.01 Å. Both Ge–O bond lengths are 1.92 Å. In the second Ge4+ site, Ge4+ is bonded to four N3- and two equivalent O2- atoms to form GeN4O2 octahedra that share corners with four equivalent GeN4more »« less
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Ge2N2O crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to two N3- and two O2- atoms to form corner-sharing GeN2O2 tetrahedra. There is one shorter (1.83 Å) and one longer (1.84 Å) Ge–N bond length. There is one shorter (1.78 Å) and one longer (1.87 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to three N3- and one O2- atom to form corner-sharing GeN3O tetrahedra. There are a spread of Ge–N bond distances ranging from 1.77–1.85 Å. The Ge–Omore »« less
Materials Data on Ge2N2O by Materials Project

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Ge2N2O crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to three N3- and one O2- atom to form corner-sharing GeN3O tetrahedra. All Ge–N bond lengths are 1.87 Å. The Ge–O bond length is 1.78 Å. In the second Ge4+ site, Ge4+ is bonded to three N3- and one O2- atom to form corner-sharing GeN3O tetrahedra. There is two shorter (1.85 Å) and one longer (1.86 Å) Ge–N bond length. The Ge–O bond length is 1.80 Å. There are two inequivalent N3- sites. Inmore »« less
Materials Data on Ge2N2O by Materials Project

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Ge2N2O crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to three N3- and one O2- atom to form corner-sharing GeN3O tetrahedra. There is two shorter (1.86 Å) and one longer (1.87 Å) Ge–N bond length. The Ge–O bond length is 1.79 Å. In the second Ge4+ site, Ge4+ is bonded to three N3- and one O2- atom to form corner-sharing GeN3O tetrahedra. There is two shorter (1.85 Å) and one longer (1.86 Å) Ge–N bond length. The Ge–O bond length is 1.80 Å.more »« less

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