Materials Data on OsRh2(NCl)10 by Materials Project

doi:10.17188/1680392

Title: Materials Data on OsRh2(NCl)10 by Materials Project

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Abstract

OsRh2(NCl)10 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two OsRh2(NCl)10 ribbons oriented in the (0, 1, 0) direction. Os8+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Os–Cl bond distances ranging from 2.28–2.32 Å. Rh4+ is bonded in a 5-coordinate geometry to five N+0.60- atoms. There are a spread of Rh–N bond distances ranging from 1.76–2.25 Å. There are three inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a distorted single-bond geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 2.57 Å. In the second N+0.60- site, N+0.60- is bonded in an L-shaped geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 1.55 Å. In the third N+0.60- site, N+0.60- is bonded in a distorted bent 120 degrees geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 1.64 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent N+0.60- atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N+0.60- atom.more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1192245

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; OsRh2(NCl)10; Cl-N-Os-Rh

OSTI Identifier:: 1680392

DOI:: https://doi.org/10.17188/1680392

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                    The Materials Project. Materials Data on OsRh2(NCl)10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680392.

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                    The Materials Project. Materials Data on OsRh2(NCl)10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680392

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                    The Materials Project. 2020.  
"Materials Data on OsRh2(NCl)10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680392.  https://www.osti.gov/servlets/purl/1680392. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1680392,

  title        = {Materials Data on OsRh2(NCl)10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {OsRh2(NCl)10 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two OsRh2(NCl)10 ribbons oriented in the (0, 1, 0) direction. Os8+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Os–Cl bond distances ranging from 2.28–2.32 Å. Rh4+ is bonded in a 5-coordinate geometry to five N+0.60- atoms. There are a spread of Rh–N bond distances ranging from 1.76–2.25 Å. There are three inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a distorted single-bond geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 2.57 Å. In the second N+0.60- site, N+0.60- is bonded in an L-shaped geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 1.55 Å. In the third N+0.60- site, N+0.60- is bonded in a distorted bent 120 degrees geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 1.64 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent N+0.60- atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N+0.60- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Os8+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Os8+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Os8+ and two equivalent N+0.60- atoms.},

  doi          = {10.17188/1680392},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1680392

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