Materials Data on GeNCl3 by Materials Project

doi:10.17188/1698628

Title: Materials Data on GeNCl3 by Materials Project

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Abstract

GeNCl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two GeNCl3 ribbons oriented in the (0, 1, 0) direction. Ge4+ is bonded to four Cl1- atoms to form corner-sharing GeCl4 tetrahedra. There are a spread of Ge–Cl bond distances ranging from 2.17–2.43 Å. N1- is bonded in a 4-coordinate geometry to two equivalent Cl1- atoms. Both N–Cl bond lengths are 3.66 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ge4+ and one N1- atom. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Ge4+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1188940

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; GeNCl3; Cl-Ge-N

OSTI Identifier:: 1698628

DOI:: https://doi.org/10.17188/1698628

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                    The Materials Project. Materials Data on GeNCl3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1698628.

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                    The Materials Project. Materials Data on GeNCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698628

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                    The Materials Project. 2019.  
"Materials Data on GeNCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698628.  https://www.osti.gov/servlets/purl/1698628. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1698628,

  title        = {Materials Data on GeNCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GeNCl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two GeNCl3 ribbons oriented in the (0, 1, 0) direction. Ge4+ is bonded to four Cl1- atoms to form corner-sharing GeCl4 tetrahedra. There are a spread of Ge–Cl bond distances ranging from 2.17–2.43 Å. N1- is bonded in a 4-coordinate geometry to two equivalent Cl1- atoms. Both N–Cl bond lengths are 3.66 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ge4+ and one N1- atom. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Ge4+ atoms.},

  doi          = {10.17188/1698628},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1698628

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