Materials Data on HW2C9NO10 by Materials Project

doi:10.17188/1665703

Title: Materials Data on HW2C9NO10 by Materials Project

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Abstract

W2NHO(CO)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eighteen formaldehyde molecules and two W2NHO clusters. In each W2NHO cluster, there are two inequivalent W5+ sites. In the first W5+ site, W5+ is bonded in a linear geometry to one N3- and one H1+ atom. The W–N bond length is 1.88 Å. The W–H bond length is 1.94 Å. In the second W5+ site, W5+ is bonded in a single-bond geometry to one H1+ atom. The W–H bond length is 1.93 Å. N3- is bonded in a linear geometry to one W5+ and one O2- atom. The N–O bond length is 1.18 Å. H1+ is bonded in a bent 120 degrees geometry to two W5+ atoms. O2- is bonded in a single-bond geometry to one N3- atom.

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1224650

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; HW2C9NO10; C-H-N-O-W

OSTI Identifier:: 1665703

DOI:: https://doi.org/10.17188/1665703

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                    The Materials Project. Materials Data on HW2C9NO10 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1665703.

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                    The Materials Project. Materials Data on HW2C9NO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1665703

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                    The Materials Project. 2019.  
"Materials Data on HW2C9NO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1665703.  https://www.osti.gov/servlets/purl/1665703. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1665703,

  title        = {Materials Data on HW2C9NO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {W2NHO(CO)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eighteen formaldehyde molecules and two W2NHO clusters. In each W2NHO cluster, there are two inequivalent W5+ sites. In the first W5+ site, W5+ is bonded in a linear geometry to one N3- and one H1+ atom. The W–N bond length is 1.88 Å. The W–H bond length is 1.94 Å. In the second W5+ site, W5+ is bonded in a single-bond geometry to one H1+ atom. The W–H bond length is 1.93 Å. N3- is bonded in a linear geometry to one W5+ and one O2- atom. The N–O bond length is 1.18 Å. H1+ is bonded in a bent 120 degrees geometry to two W5+ atoms. O2- is bonded in a single-bond geometry to one N3- atom.},

  doi          = {10.17188/1665703},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1665703

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