Materials Data on BaClO by Materials Project

doi:10.17188/1724747

Title: Materials Data on BaClO by Materials Project

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Abstract

BaOCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to three equivalent O and five equivalent Cl atoms. There are one shorter (2.59 Å) and two longer (2.72 Å) Ba–O bond lengths. There are a spread of Ba–Cl bond distances ranging from 3.22–3.27 Å. O is bonded in a distorted trigonal planar geometry to three equivalent Ba atoms. Cl is bonded to five equivalent Ba atoms to form a mixture of distorted corner and edge-sharing ClBa5 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1214435

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; BaClO; Ba-Cl-O

OSTI Identifier:: 1724747

DOI:: https://doi.org/10.17188/1724747

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                    The Materials Project. Materials Data on BaClO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1724747.

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                    The Materials Project. Materials Data on BaClO by Materials Project.  United States.  doi:https://doi.org/10.17188/1724747

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                    The Materials Project. 2020.  
"Materials Data on BaClO by Materials Project".  United States.  doi:https://doi.org/10.17188/1724747.  https://www.osti.gov/servlets/purl/1724747. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1724747,

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

  author       = {The Materials Project},

  abstractNote = {BaOCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to three equivalent O and five equivalent Cl atoms. There are one shorter (2.59 Å) and two longer (2.72 Å) Ba–O bond lengths. There are a spread of Ba–Cl bond distances ranging from 3.22–3.27 Å. O is bonded in a distorted trigonal planar geometry to three equivalent Ba atoms. Cl is bonded to five equivalent Ba atoms to form a mixture of distorted corner and edge-sharing ClBa5 trigonal bipyramids.},

  doi          = {10.17188/1724747},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1724747

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