Materials Data on Er5Si4 by Materials Project

doi:10.17188/1274442

Title: Materials Data on Er5Si4 by Materials Project

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Abstract

Er5Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Er–Si bond distances ranging from 3.00–3.65 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Er–Si bond distances ranging from 2.82–3.00 Å. In the third Er site, Er is bonded to six Si atoms to form distorted corner-sharing ErSi6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Er–Si bond distances ranging from 2.87–3.26 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Er and one Si atom. The Si–Si bond length is 2.49 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Er and one Si atom. The Si–Si bond length is 2.54 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to eight Er and one Si atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-568446

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; Er5Si4; Er-Si

OSTI Identifier:: 1274442

DOI:: https://doi.org/10.17188/1274442

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                    The Materials Project. Materials Data on Er5Si4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274442.

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                    The Materials Project. Materials Data on Er5Si4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274442

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                    The Materials Project. 2020.  
"Materials Data on Er5Si4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274442.  https://www.osti.gov/servlets/purl/1274442. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1274442,

  title        = {Materials Data on Er5Si4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er5Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Er–Si bond distances ranging from 3.00–3.65 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Er–Si bond distances ranging from 2.82–3.00 Å. In the third Er site, Er is bonded to six Si atoms to form distorted corner-sharing ErSi6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Er–Si bond distances ranging from 2.87–3.26 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Er and one Si atom. The Si–Si bond length is 2.49 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Er and one Si atom. The Si–Si bond length is 2.54 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to eight Er and one Si atom.},

  doi          = {10.17188/1274442},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274442

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