Materials Data on SbH24C6(NCl2)3 by Materials Project

doi:10.17188/1287904

Title: Materials Data on SbH24C6(NCl2)3 by Materials Project

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Abstract

(CH3)3(CH3NH2)3SbCl4Cl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, six methane molecules, six methylammonium molecules, and two SbCl4 clusters. In each SbCl4 cluster, Sb3- is bonded in a distorted rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.44–2.78 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom.

Publication Date:: 2020-04-28

Other Number(s):: mp-738686

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; C-Cl-H-N-Sb; crystal structure; SbH24C6(NCl2)3

OSTI Identifier:: 1287904

DOI:: https://doi.org/10.17188/1287904

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                    Materials Data on SbH24C6(NCl2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287904.

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                    Materials Data on SbH24C6(NCl2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287904

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                    2020.  
"Materials Data on SbH24C6(NCl2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287904.  https://www.osti.gov/servlets/purl/1287904. Pub date:Tue Apr 28 20:00:00 EDT 2020

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@article{osti_1287904,

  title        = {Materials Data on SbH24C6(NCl2)3 by Materials Project},

  
  abstractNote = {(CH3)3(CH3NH2)3SbCl4Cl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, six methane molecules, six methylammonium molecules, and two SbCl4 clusters. In each SbCl4 cluster, Sb3- is bonded in a distorted rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.44–2.78 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom.},

  doi          = {10.17188/1287904},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1287904

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