Materials Data on SbSe9Cl7 by Materials Project

doi:10.17188/1262137

Title: Materials Data on SbSe9Cl7 by Materials Project

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Abstract

SbCl6(Se)8SeCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chloroselenurane molecules, thirty-two selenium molecules, and four SbCl6 clusters. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are three shorter (2.41 Å) and three longer (2.43 Å) Sb–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-504937

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; SbSe9Cl7; Cl-Sb-Se

OSTI Identifier:: 1262137

DOI:: https://doi.org/10.17188/1262137

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                    The Materials Project. Materials Data on SbSe9Cl7 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1262137.

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                    The Materials Project. Materials Data on SbSe9Cl7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262137

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                    The Materials Project. 2017.  
"Materials Data on SbSe9Cl7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262137.  https://www.osti.gov/servlets/purl/1262137. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1262137,

  title        = {Materials Data on SbSe9Cl7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SbCl6(Se)8SeCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chloroselenurane molecules, thirty-two selenium molecules, and four SbCl6 clusters. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are three shorter (2.41 Å) and three longer (2.43 Å) Sb–Cl bond lengths. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.},

  doi          = {10.17188/1262137},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1262137

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