Materials Data on LaH6Au3C6(N2O)3 by Materials Project

doi:10.17188/1266633

Title: Materials Data on LaH6Au3C6(N2O)3 by Materials Project

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Abstract

LaAu3C6H6(N2O)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to six equivalent N3- and three equivalent O2- atoms. All La–N bond lengths are 2.69 Å. All La–O bond lengths are 2.54 Å. Au+0.33- is bonded in a linear geometry to two equivalent C+2.67+ atoms. Both Au–C bond lengths are 1.99 Å. C+2.67+ is bonded in a distorted single-bond geometry to one Au+0.33- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to one La3+ and one C+2.67+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to one La3+ and two equivalent H1+ atoms.

Authors:: The Materials Project

Publication Date:: Thu May 11 00:00:00 EDT 2017

Other Number(s):: mp-542688

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; LaH6Au3C6(N2O)3; Au-C-H-La-N-O

OSTI Identifier:: 1266633

DOI:: https://doi.org/10.17188/1266633

Citation Formats


                    The Materials Project. Materials Data on LaH6Au3C6(N2O)3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1266633.

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                    The Materials Project. Materials Data on LaH6Au3C6(N2O)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266633

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                    The Materials Project. 2017.  
"Materials Data on LaH6Au3C6(N2O)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266633.  https://www.osti.gov/servlets/purl/1266633. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1266633,

  title        = {Materials Data on LaH6Au3C6(N2O)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaAu3C6H6(N2O)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to six equivalent N3- and three equivalent O2- atoms. All La–N bond lengths are 2.69 Å. All La–O bond lengths are 2.54 Å. Au+0.33- is bonded in a linear geometry to two equivalent C+2.67+ atoms. Both Au–C bond lengths are 1.99 Å. C+2.67+ is bonded in a distorted single-bond geometry to one Au+0.33- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to one La3+ and one C+2.67+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to one La3+ and two equivalent H1+ atoms.},

  doi          = {10.17188/1266633},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu May 11 00:00:00 EDT 2017},

  month        = {Thu May 11 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1266633

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