Materials Data on SbCl4F by Materials Project

doi:10.17188/1199492

Title: Materials Data on SbCl4F by Materials Project

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Abstract

SbCl4F crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two SbCl4F clusters. Sb5+ is bonded to four Cl1- and two equivalent F1- atoms to form corner-sharing SbCl4F2 octahedra. The corner-sharing octahedral tilt angles are 10°. There are three shorter (2.33 Å) and one longer (2.34 Å) Sb–Cl bond lengths. There are one shorter (2.14 Å) and one longer (2.15 Å) Sb–F bond lengths. There are four 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 distorted single-bond geometry to one Sb5+ atom. F1- is bonded in a linear geometry to two equivalent Sb5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-23412

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; SbCl4F; Cl-F-Sb

OSTI Identifier:: 1199492

DOI:: https://doi.org/10.17188/1199492

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                    The Materials Project. Materials Data on SbCl4F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199492.

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                    The Materials Project. Materials Data on SbCl4F by Materials Project.  United States.  doi:https://doi.org/10.17188/1199492

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                    The Materials Project. 2020.  
"Materials Data on SbCl4F by Materials Project".  United States.  doi:https://doi.org/10.17188/1199492.  https://www.osti.gov/servlets/purl/1199492. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1199492,

  title        = {Materials Data on SbCl4F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SbCl4F crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two SbCl4F clusters. Sb5+ is bonded to four Cl1- and two equivalent F1- atoms to form corner-sharing SbCl4F2 octahedra. The corner-sharing octahedral tilt angles are 10°. There are three shorter (2.33 Å) and one longer (2.34 Å) Sb–Cl bond lengths. There are one shorter (2.14 Å) and one longer (2.15 Å) Sb–F bond lengths. There are four 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 distorted single-bond geometry to one Sb5+ atom. F1- is bonded in a linear geometry to two equivalent Sb5+ atoms.},

  doi          = {10.17188/1199492},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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