Materials Data on BaSbClO2 by Materials Project

doi:10.17188/1267070

Title: Materials Data on BaSbClO2 by Materials Project

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Abstract

BaSbO2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Ba–O bond lengths are 2.76 Å. There are two shorter (3.21 Å) and two longer (3.40 Å) Ba–Cl bond lengths. Sb3+ is bonded to four equivalent O2- atoms to form distorted edge-sharing SbO4 trigonal pyramids. All Sb–O bond lengths are 2.11 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Sb3+ atoms to form distorted OBa2Sb2 tetrahedra that share corners with four equivalent OBa2Sb2 tetrahedra, corners with eight equivalent ClBa4 tetrahedra, and edges with four equivalent OBa2Sb2 tetrahedra. Cl1- is bonded to four equivalent Ba2+ atoms to form distorted ClBa4 tetrahedra that share corners with four equivalent ClBa4 tetrahedra, corners with sixteen equivalent OBa2Sb2 tetrahedra, and edges with four equivalent ClBa4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-545500

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; BaSbClO2; Ba-Cl-O-Sb

OSTI Identifier:: 1267070

DOI:: https://doi.org/10.17188/1267070

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                    The Materials Project. Materials Data on BaSbClO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267070.

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                    The Materials Project. Materials Data on BaSbClO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267070

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                    The Materials Project. 2020.  
"Materials Data on BaSbClO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267070.  https://www.osti.gov/servlets/purl/1267070. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1267070,

  title        = {Materials Data on BaSbClO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaSbO2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Ba–O bond lengths are 2.76 Å. There are two shorter (3.21 Å) and two longer (3.40 Å) Ba–Cl bond lengths. Sb3+ is bonded to four equivalent O2- atoms to form distorted edge-sharing SbO4 trigonal pyramids. All Sb–O bond lengths are 2.11 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Sb3+ atoms to form distorted OBa2Sb2 tetrahedra that share corners with four equivalent OBa2Sb2 tetrahedra, corners with eight equivalent ClBa4 tetrahedra, and edges with four equivalent OBa2Sb2 tetrahedra. Cl1- is bonded to four equivalent Ba2+ atoms to form distorted ClBa4 tetrahedra that share corners with four equivalent ClBa4 tetrahedra, corners with sixteen equivalent OBa2Sb2 tetrahedra, and edges with four equivalent ClBa4 tetrahedra.},

  doi          = {10.17188/1267070},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267070

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