Materials Data on SbP(Cl3O)2 by Materials Project

doi:10.17188/1268194

Title: Materials Data on SbP(Cl3O)2 by Materials Project

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Abstract

SbP(OCl3)2 is beta Polonium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two SbP(OCl3)2 clusters. Sb5+ is bonded to two O2- and four Cl1- atoms to form SbCl4O2 octahedra that share corners with two equivalent PCl2O2 tetrahedra. There are one shorter (2.12 Å) and one longer (2.13 Å) Sb–O bond lengths. There are one shorter (2.35 Å) and three longer (2.36 Å) Sb–Cl bond lengths. P5+ is bonded to two O2- and two Cl1- atoms to form PCl2O2 tetrahedra that share corners with two equivalent SbCl4O2 octahedra. The corner-sharing octahedra tilt angles range from 37–39°. There is one shorter (1.52 Å) and one longer (1.53 Å) P–O bond length. Both P–Cl bond lengths are 1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one P5+ atom. 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-more »« less

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-554847

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; SbP(Cl3O)2; Cl-O-P-Sb

OSTI Identifier:: 1268194

DOI:: https://doi.org/10.17188/1268194

Citation Formats


                    The Materials Project. Materials Data on SbP(Cl3O)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268194.

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                    The Materials Project. Materials Data on SbP(Cl3O)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268194

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                    The Materials Project. 2020.  
"Materials Data on SbP(Cl3O)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268194.  https://www.osti.gov/servlets/purl/1268194. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1268194,

  title        = {Materials Data on SbP(Cl3O)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SbP(OCl3)2 is beta Polonium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two SbP(OCl3)2 clusters. Sb5+ is bonded to two O2- and four Cl1- atoms to form SbCl4O2 octahedra that share corners with two equivalent PCl2O2 tetrahedra. There are one shorter (2.12 Å) and one longer (2.13 Å) Sb–O bond lengths. There are one shorter (2.35 Å) and three longer (2.36 Å) Sb–Cl bond lengths. P5+ is bonded to two O2- and two Cl1- atoms to form PCl2O2 tetrahedra that share corners with two equivalent SbCl4O2 octahedra. The corner-sharing octahedra tilt angles range from 37–39°. There is one shorter (1.52 Å) and one longer (1.53 Å) P–O bond length. Both P–Cl bond lengths are 1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one P5+ atom. 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 P5+ 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 P5+ atom.},

  doi          = {10.17188/1268194},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1268194

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