Materials Data on SmSeClO3 by Materials Project

doi:10.17188/1267718

Title: Materials Data on SmSeClO3 by Materials Project

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Abstract

SmSeO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded to five O2- and two equivalent Cl1- atoms to form a mixture of edge and corner-sharing SmCl2O5 pentagonal bipyramids. There are a spread of Sm–O bond distances ranging from 2.28–2.45 Å. There are one shorter (2.81 Å) and one longer (2.82 Å) Sm–Cl bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.75 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sm3+ and one Se4+ atom. Cl1- is bonded in a bent 150 degrees geometry to two equivalent Sm3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-554063

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; SmSeClO3; Cl-O-Se-Sm

OSTI Identifier:: 1267718

DOI:: https://doi.org/10.17188/1267718

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                    The Materials Project. Materials Data on SmSeClO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267718.

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                    The Materials Project. Materials Data on SmSeClO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267718

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                    The Materials Project. 2020.  
"Materials Data on SmSeClO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267718.  https://www.osti.gov/servlets/purl/1267718. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1267718,

  title        = {Materials Data on SmSeClO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmSeO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded to five O2- and two equivalent Cl1- atoms to form a mixture of edge and corner-sharing SmCl2O5 pentagonal bipyramids. There are a spread of Sm–O bond distances ranging from 2.28–2.45 Å. There are one shorter (2.81 Å) and one longer (2.82 Å) Sm–Cl bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.75 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sm3+ and one Se4+ atom. Cl1- is bonded in a bent 150 degrees geometry to two equivalent Sm3+ atoms.},

  doi          = {10.17188/1267718},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1267718

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