Materials Data on Ru2Au2N10Cl12O by Materials Project

doi:10.17188/1663439

Title: Materials Data on Ru2Au2N10Cl12O by Materials Project

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Abstract

Ru2Au(N5Cl3)2AuCl4Cl2O crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of two chlorine monoxide molecules, two AuCl4 clusters, and two Ru2Au(N5Cl3)2 clusters. In each AuCl4 cluster, Au5+ is bonded in a square co-planar geometry to four Cl1- atoms. All Au–Cl bond lengths are 2.32 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Au5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au5+ atom. In each Ru2Au(N5Cl3)2 cluster, Ru5+ is bonded in a 5-coordinate geometry to five N+0.60- atoms. There are a spread of Ru–N bond distances ranging from 1.72–2.32 Å. Au5+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.31 Å) and two longer (2.32 Å) Au–Cl bond lengths. There are five inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ru5+ and one Cl1- atom. The N–Cl bond length is 2.76 Å. In the second N+0.60- site, N+0.60- is bonded in a distorted L-shaped geometry to one Ru5+ and one Cl1- atom. The N–Cl bond length is 1.53 Å. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1219841

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; Ru2Au2N10Cl12O; Au-Cl-N-O-Ru

OSTI Identifier:: 1663439

DOI:: https://doi.org/10.17188/1663439

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                    The Materials Project. Materials Data on Ru2Au2N10Cl12O by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1663439.

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                    The Materials Project. Materials Data on Ru2Au2N10Cl12O by Materials Project.  United States.  doi:https://doi.org/10.17188/1663439

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                    The Materials Project. 2019.  
"Materials Data on Ru2Au2N10Cl12O by Materials Project".  United States.  doi:https://doi.org/10.17188/1663439.  https://www.osti.gov/servlets/purl/1663439. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1663439,

  title        = {Materials Data on Ru2Au2N10Cl12O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ru2Au(N5Cl3)2AuCl4Cl2O crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of two chlorine monoxide molecules, two AuCl4 clusters, and two Ru2Au(N5Cl3)2 clusters. In each AuCl4 cluster, Au5+ is bonded in a square co-planar geometry to four Cl1- atoms. All Au–Cl bond lengths are 2.32 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Au5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au5+ atom. In each Ru2Au(N5Cl3)2 cluster, Ru5+ is bonded in a 5-coordinate geometry to five N+0.60- atoms. There are a spread of Ru–N bond distances ranging from 1.72–2.32 Å. Au5+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.31 Å) and two longer (2.32 Å) Au–Cl bond lengths. There are five inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ru5+ and one Cl1- atom. The N–Cl bond length is 2.76 Å. In the second N+0.60- site, N+0.60- is bonded in a distorted L-shaped geometry to one Ru5+ and one Cl1- atom. The N–Cl bond length is 1.53 Å. In the third N+0.60- site, N+0.60- is bonded in an L-shaped geometry to one Ru5+ and one Cl1- atom. The N–Cl bond length is 1.53 Å. In the fourth N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ru5+ atom. In the fifth N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ru5+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au5+ atom. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two N+0.60- atoms. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au5+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au5+ and two equivalent N+0.60- atoms.},

  doi          = {10.17188/1663439},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1663439

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