Materials Data on MoH12Pd(NO)4 by Materials Project

doi:10.17188/1287967

Title: Materials Data on MoH12Pd(NO)4 by Materials Project

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Abstract

MoO4PdN4H12 is alpha Samarium-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of four molybdenum;tetrahydrate molecules and four PdN4H12 clusters. In each PdN4H12 cluster, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. All Pd–N bond lengths are 2.07 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

Authors:: The Materials Project

Publication Date:: 2017-05-11

Other Number(s):: mp-742819

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; MoH12Pd(NO)4; H-Mo-N-O-Pd

OSTI Identifier:: 1287967

DOI:: https://doi.org/10.17188/1287967

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                    The Materials Project. Materials Data on MoH12Pd(NO)4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1287967.

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                    The Materials Project. Materials Data on MoH12Pd(NO)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287967

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                    The Materials Project. 2017.  
"Materials Data on MoH12Pd(NO)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287967.  https://www.osti.gov/servlets/purl/1287967. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1287967,

  title        = {Materials Data on MoH12Pd(NO)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoO4PdN4H12 is alpha Samarium-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of four molybdenum;tetrahydrate molecules and four PdN4H12 clusters. In each PdN4H12 cluster, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. All Pd–N bond lengths are 2.07 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.},

  doi          = {10.17188/1287967},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1287967

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