Materials Data on SrCl2O by Materials Project

doi:10.17188/1694810

Title: Materials Data on SrCl2O by Materials Project

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Abstract

SrOCl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 2-coordinate geometry to two equivalent O and seven Cl atoms. Both Sr–O bond lengths are 2.54 Å. There are a spread of Sr–Cl bond distances ranging from 3.02–3.14 Å. O is bonded in a distorted bent 150 degrees geometry to two equivalent Sr and one Cl atom. The O–Cl bond length is 2.44 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to three equivalent Sr and one O atom. In the second Cl site, Cl is bonded to four equivalent Sr atoms to form a mixture of distorted edge and corner-sharing ClSr4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2019-09-05

Other Number(s):: mp-1188145

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; SrCl2O; Cl-O-Sr

OSTI Identifier:: 1694810

DOI:: https://doi.org/10.17188/1694810

Citation Formats


                    The Materials Project. Materials Data on SrCl2O by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1694810.

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                    The Materials Project. Materials Data on SrCl2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1694810

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                    The Materials Project. 2019.  
"Materials Data on SrCl2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1694810.  https://www.osti.gov/servlets/purl/1694810. Pub date:Thu Sep 05 00:00:00 EDT 2019

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@article{osti_1694810,

  title        = {Materials Data on SrCl2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrOCl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 2-coordinate geometry to two equivalent O and seven Cl atoms. Both Sr–O bond lengths are 2.54 Å. There are a spread of Sr–Cl bond distances ranging from 3.02–3.14 Å. O is bonded in a distorted bent 150 degrees geometry to two equivalent Sr and one Cl atom. The O–Cl bond length is 2.44 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to three equivalent Sr and one O atom. In the second Cl site, Cl is bonded to four equivalent Sr atoms to form a mixture of distorted edge and corner-sharing ClSr4 tetrahedra.},

  doi          = {10.17188/1694810},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1694810

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