Materials Data on AgH12C6N13O3 by Materials Project

doi:10.17188/1686675

Title: Materials Data on AgH12C6N13O3 by Materials Project

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Abstract

AgH12(CN2)6NO3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules and two AgH12(CN2)6 clusters. In each AgH12(CN2)6 cluster, Ag1+ is bonded in a distorted linear geometry to two N+2.38- atoms. Both Ag–N bond lengths are 2.14 Å. There are six inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three N+2.38- atoms. There is two shorter (1.35 Å) and one longer (1.36 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three N+2.38- atoms. There is two shorter (1.34 Å) and one longer (1.37 Å) C–N bond length. In the third C4+ site, C4+ is bonded in a trigonal planar geometry to three N+2.38- atoms. There are a spread of C–N bond distances ranging from 1.34–1.37 Å. In the fourth C4+ site, C4+ is bonded in a trigonal planar geometry to three N+2.38- atoms. There are a spread of C–N bond distances ranging from 1.34–1.37 Å. In the fifth C4+ site, C4+ is bonded in a trigonal planar geometry to three N+2.38- atoms. There are a spread of C–N bond distances ranging from 1.34–1.37more »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1215103

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; AgH12C6N13O3; Ag-C-H-N-O

OSTI Identifier:: 1686675

DOI:: https://doi.org/10.17188/1686675

Citation Formats


                    The Materials Project. Materials Data on AgH12C6N13O3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1686675.

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                    The Materials Project. Materials Data on AgH12C6N13O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686675

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                    The Materials Project. 2019.  
"Materials Data on AgH12C6N13O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686675.  https://www.osti.gov/servlets/purl/1686675. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1686675,

  title        = {Materials Data on AgH12C6N13O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgH12(CN2)6NO3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules and two AgH12(CN2)6 clusters. In each AgH12(CN2)6 cluster, Ag1+ is bonded in a distorted linear geometry to two N+2.38- atoms. Both Ag–N bond lengths are 2.14 Å. There are six inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three N+2.38- atoms. There is two shorter (1.35 Å) and one longer (1.36 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three N+2.38- atoms. There is two shorter (1.34 Å) and one longer (1.37 Å) C–N bond length. In the third C4+ site, C4+ is bonded in a trigonal planar geometry to three N+2.38- atoms. There are a spread of C–N bond distances ranging from 1.34–1.37 Å. In the fourth C4+ site, C4+ is bonded in a trigonal planar geometry to three N+2.38- atoms. There are a spread of C–N bond distances ranging from 1.34–1.37 Å. In the fifth C4+ site, C4+ is bonded in a trigonal planar geometry to three N+2.38- atoms. There are a spread of C–N bond distances ranging from 1.34–1.37 Å. In the sixth C4+ site, C4+ is bonded in a trigonal planar geometry to three N+2.38- atoms. There is one shorter (1.34 Å) and two longer (1.35 Å) C–N bond length. There are twelve inequivalent N+2.38- sites. In the first N+2.38- site, N+2.38- is bonded in a bent 120 degrees geometry to two C4+ atoms. In the second N+2.38- site, N+2.38- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the third N+2.38- site, N+2.38- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the fourth N+2.38- site, N+2.38- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the fifth N+2.38- site, N+2.38- is bonded in a bent 120 degrees geometry to two C4+ atoms. In the sixth N+2.38- site, N+2.38- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the seventh N+2.38- site, N+2.38- is bonded in a trigonal planar geometry to one Ag1+ and two C4+ atoms. In the eighth N+2.38- site, N+2.38- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.01 Å) and one longer (1.03 Å) N–H bond length. In the ninth N+2.38- site, N+2.38- is bonded in a bent 120 degrees geometry to two C4+ atoms. In the tenth N+2.38- site, N+2.38- is bonded in a trigonal planar geometry to one Ag1+ and two C4+ atoms. In the eleventh N+2.38- site, N+2.38- is bonded in a bent 120 degrees geometry to two C4+ atoms. In the twelfth N+2.38- site, N+2.38- is bonded in a distorted trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+2.38- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+2.38- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+2.38- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+2.38- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+2.38- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+2.38- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N+2.38- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N+2.38- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N+2.38- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N+2.38- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N+2.38- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N+2.38- atom.},

  doi          = {10.17188/1686675},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1686675

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