Materials Data on Er2FeSi4 by Materials Project

doi:10.17188/1684208

Title: Materials Data on Er2FeSi4 by Materials Project

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Abstract

Er2FeSi4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 10-coordinate geometry to ten Si2- atoms. There are a spread of Er–Si bond distances ranging from 2.89–2.99 Å. In the second Er3+ site, Er3+ is bonded in a 10-coordinate geometry to ten Si2- atoms. There are a spread of Er–Si bond distances ranging from 2.97–3.18 Å. Fe2+ is bonded in a 5-coordinate geometry to five Si2- atoms. There are two shorter (2.20 Å) and three longer (2.25 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 9-coordinate geometry to six Er3+, one Fe2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.55 Å. In the second Si2- site, Si2- is bonded in a 8-coordinate geometry to six Er3+ and two equivalent Si2- atoms. In the third Si2- site, Si2- is bonded in a 2-coordinate geometry to four Er3+ and two equivalent Fe2+ atoms. In the fourth Si2- site, Si2- is bonded in a 4-coordinate geometry to four Er3+ and two equivalent Fe2+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1225571

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; Er2FeSi4; Er-Fe-Si

OSTI Identifier:: 1684208

DOI:: https://doi.org/10.17188/1684208

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                    The Materials Project. Materials Data on Er2FeSi4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1684208.

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                    The Materials Project. Materials Data on Er2FeSi4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1684208

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                    The Materials Project. 2019.  
"Materials Data on Er2FeSi4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1684208.  https://www.osti.gov/servlets/purl/1684208. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1684208,

  title        = {Materials Data on Er2FeSi4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2FeSi4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 10-coordinate geometry to ten Si2- atoms. There are a spread of Er–Si bond distances ranging from 2.89–2.99 Å. In the second Er3+ site, Er3+ is bonded in a 10-coordinate geometry to ten Si2- atoms. There are a spread of Er–Si bond distances ranging from 2.97–3.18 Å. Fe2+ is bonded in a 5-coordinate geometry to five Si2- atoms. There are two shorter (2.20 Å) and three longer (2.25 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 9-coordinate geometry to six Er3+, one Fe2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.55 Å. In the second Si2- site, Si2- is bonded in a 8-coordinate geometry to six Er3+ and two equivalent Si2- atoms. In the third Si2- site, Si2- is bonded in a 2-coordinate geometry to four Er3+ and two equivalent Fe2+ atoms. In the fourth Si2- site, Si2- is bonded in a 4-coordinate geometry to four Er3+ and two equivalent Fe2+ atoms.},

  doi          = {10.17188/1684208},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1684208

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