Materials Data on ErClO by Materials Project

doi:10.17188/1290158

Title: Materials Data on ErClO by Materials Project

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Abstract

ErOCl crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ErOCl sheet oriented in the (0, 0, 1) direction. Er3+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing ErCl2O4 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.22 Å) and two longer (2.28 Å) Er–O bond lengths. Both Er–Cl bond lengths are 2.66 Å. O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra. Cl1- is bonded in an L-shaped geometry to two equivalent Er3+ atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-755689

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; ErClO; Cl-Er-O

OSTI Identifier:: 1290158

DOI:: https://doi.org/10.17188/1290158

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                    The Materials Project. Materials Data on ErClO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290158.

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                    The Materials Project. Materials Data on ErClO by Materials Project.  United States.  doi:https://doi.org/10.17188/1290158

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                    The Materials Project. 2020.  
"Materials Data on ErClO by Materials Project".  United States.  doi:https://doi.org/10.17188/1290158.  https://www.osti.gov/servlets/purl/1290158. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1290158,

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

  author       = {The Materials Project},

  abstractNote = {ErOCl crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ErOCl sheet oriented in the (0, 0, 1) direction. Er3+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing ErCl2O4 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.22 Å) and two longer (2.28 Å) Er–O bond lengths. Both Er–Cl bond lengths are 2.66 Å. O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra. Cl1- is bonded in an L-shaped geometry to two equivalent Er3+ atoms.},

  doi          = {10.17188/1290158},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290158

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