Materials Data on H12OsN5Cl3O by Materials Project

doi:10.17188/1200106

Title: Materials Data on H12OsN5Cl3O by Materials Project

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Abstract

OsN5H12OClCl2 crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules and two OsN5H12OCl clusters. In each OsN5H12OCl cluster, Os8+ is bonded in an octahedral geometry to five N3- and one Cl1- atom. There is one shorter (1.75 Å) and four longer (2.14 Å) Os–N bond length. The Os–Cl bond length is 2.33 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Os8+ and one O2- atom. The N–O bond length is 1.18 Å. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Os8+ and three H1+ atoms. There is one shorter (1.02 Å) and two 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. O2- is bonded in a single-bond geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Os8+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-24461

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; H12OsN5Cl3O; Cl-H-N-O-Os

OSTI Identifier:: 1200106

DOI:: https://doi.org/10.17188/1200106

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                    The Materials Project. Materials Data on H12OsN5Cl3O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200106.

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                    The Materials Project. Materials Data on H12OsN5Cl3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1200106

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                    The Materials Project. 2020.  
"Materials Data on H12OsN5Cl3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1200106.  https://www.osti.gov/servlets/purl/1200106. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1200106,

  title        = {Materials Data on H12OsN5Cl3O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {OsN5H12OClCl2 crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules and two OsN5H12OCl clusters. In each OsN5H12OCl cluster, Os8+ is bonded in an octahedral geometry to five N3- and one Cl1- atom. There is one shorter (1.75 Å) and four longer (2.14 Å) Os–N bond length. The Os–Cl bond length is 2.33 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Os8+ and one O2- atom. The N–O bond length is 1.18 Å. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Os8+ and three H1+ atoms. There is one shorter (1.02 Å) and two 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. O2- is bonded in a single-bond geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Os8+ atom.},

  doi          = {10.17188/1200106},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1200106

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