Materials Data on Er2Si3 by Materials Project

doi:10.17188/1747143

Title: Materials Data on Er2Si3 by Materials Project

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Abstract

Er2Si3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Er–Si bond distances ranging from 2.94–3.09 Å. In the second Er site, Er is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Er–Si bond distances ranging from 2.92–3.04 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to six Er and one Si atom. The Si–Si bond length is 2.31 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Er and three Si atoms. Both Si–Si bond lengths are 2.36 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to six Er and two equivalent Si atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1225750

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; Er2Si3; Er-Si

OSTI Identifier:: 1747143

DOI:: https://doi.org/10.17188/1747143

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                    The Materials Project. Materials Data on Er2Si3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747143.

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                    The Materials Project. Materials Data on Er2Si3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1747143

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                    The Materials Project. 2020.  
"Materials Data on Er2Si3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1747143.  https://www.osti.gov/servlets/purl/1747143. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1747143,

  title        = {Materials Data on Er2Si3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2Si3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Er–Si bond distances ranging from 2.94–3.09 Å. In the second Er site, Er is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Er–Si bond distances ranging from 2.92–3.04 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to six Er and one Si atom. The Si–Si bond length is 2.31 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Er and three Si atoms. Both Si–Si bond lengths are 2.36 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to six Er and two equivalent Si atoms.},

  doi          = {10.17188/1747143},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1747143

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