Materials Data on ErSeI by Materials Project

doi:10.17188/1202561

Title: Materials Data on ErSeI by Materials Project

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Abstract

ErSeI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ErSeI sheet oriented in the (0, 0, 1) direction. Er3+ is bonded to four equivalent Se2- and two equivalent I1- atoms to form a mixture of edge and corner-sharing ErSe4I2 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two shorter (2.83 Å) and two longer (2.85 Å) Er–Se bond lengths. Both Er–I bond lengths are 3.03 Å. Se2- is bonded in a rectangular see-saw-like geometry to four equivalent Er3+ atoms. I1- is bonded in an L-shaped geometry to two equivalent Er3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-28458

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; ErSeI; Er-I-Se

OSTI Identifier:: 1202561

DOI:: https://doi.org/10.17188/1202561

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                    The Materials Project. Materials Data on ErSeI by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202561.

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                    The Materials Project. Materials Data on ErSeI by Materials Project.  United States.  doi:https://doi.org/10.17188/1202561

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                    The Materials Project. 2020.  
"Materials Data on ErSeI by Materials Project".  United States.  doi:https://doi.org/10.17188/1202561.  https://www.osti.gov/servlets/purl/1202561. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1202561,

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

  author       = {The Materials Project},

  abstractNote = {ErSeI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ErSeI sheet oriented in the (0, 0, 1) direction. Er3+ is bonded to four equivalent Se2- and two equivalent I1- atoms to form a mixture of edge and corner-sharing ErSe4I2 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two shorter (2.83 Å) and two longer (2.85 Å) Er–Se bond lengths. Both Er–I bond lengths are 3.03 Å. Se2- is bonded in a rectangular see-saw-like geometry to four equivalent Er3+ atoms. I1- is bonded in an L-shaped geometry to two equivalent Er3+ atoms.},

  doi          = {10.17188/1202561},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202561

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