Materials Data on H9OsN7Cl2 by Materials Project

doi:10.17188/1286234

Title: Materials Data on H9OsN7Cl2 by Materials Project

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Abstract

OsN7H9Cl2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydrochloric acid molecules and four OsN7H9 clusters. In each OsN7H9 cluster, Os6+ is bonded in an octahedral geometry to six N+1.86- atoms. There are a spread of Os–N bond distances ranging from 1.80–2.16 Å. There are six inequivalent N+1.86- sites. In the first N+1.86- site, N+1.86- is bonded in a linear geometry to one Os6+ and one N+1.86- atom. The N–N bond length is 1.12 Å. In the second N+1.86- site, N+1.86- is bonded in a single-bond geometry to one N+1.86- atom. In the third N+1.86- site, N+1.86- is bonded in a trigonal non-coplanar geometry to one Os6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length. In the fourth N+1.86- site, N+1.86- is bonded in a trigonal non-coplanar geometry to one Os6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length. In the fifth N+1.86- site, N+1.86- is bonded in a trigonal non-coplanar geometry to one Os6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length.more »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-706624

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; H9OsN7Cl2; Cl-H-N-Os

OSTI Identifier:: 1286234

DOI:: https://doi.org/10.17188/1286234

Citation Formats


                    The Materials Project. Materials Data on H9OsN7Cl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286234.

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                    The Materials Project. Materials Data on H9OsN7Cl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286234

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                    The Materials Project. 2020.  
"Materials Data on H9OsN7Cl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286234.  https://www.osti.gov/servlets/purl/1286234. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1286234,

  title        = {Materials Data on H9OsN7Cl2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {OsN7H9Cl2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydrochloric acid molecules and four OsN7H9 clusters. In each OsN7H9 cluster, Os6+ is bonded in an octahedral geometry to six N+1.86- atoms. There are a spread of Os–N bond distances ranging from 1.80–2.16 Å. There are six inequivalent N+1.86- sites. In the first N+1.86- site, N+1.86- is bonded in a linear geometry to one Os6+ and one N+1.86- atom. The N–N bond length is 1.12 Å. In the second N+1.86- site, N+1.86- is bonded in a single-bond geometry to one N+1.86- atom. In the third N+1.86- site, N+1.86- is bonded in a trigonal non-coplanar geometry to one Os6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length. In the fourth N+1.86- site, N+1.86- is bonded in a trigonal non-coplanar geometry to one Os6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length. In the fifth N+1.86- site, N+1.86- is bonded in a trigonal non-coplanar geometry to one Os6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length. In the sixth N+1.86- site, N+1.86- is bonded in a single-bond geometry to one Os6+ atom. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom.},

  doi          = {10.17188/1286234},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1286234

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