Materials Data on Dy2FeSi4 by Materials Project

doi:10.17188/1685577

Title: Materials Data on Dy2FeSi4 by Materials Project

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Abstract

Dy2FeSi4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Dy–Si bond distances ranging from 3.04–3.18 Å. In the second Dy3+ site, Dy3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Dy–Si bond distances ranging from 3.05–3.15 Å. Fe2+ is bonded to four Si2- atoms to form distorted corner-sharing FeSi4 trigonal pyramids. There are two shorter (2.19 Å) and two longer (2.21 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 2-coordinate geometry to five Dy3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.45 Å. In the second Si2- site, Si2- is bonded in a 2-coordinate geometry to five Dy3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.42 Å. In the third Si2- site, Si2- is bonded in a 9-coordinate geometry to six Dy3+ and three Si2- atoms. Both Si–Si bond lengths are 2.39 Å. In the fourth Si2- site, Si2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Sun Jan 13 00:00:00 EST 2019

Other Number(s):: mp-1225432

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; Dy2FeSi4; Dy-Fe-Si

OSTI Identifier:: 1685577

DOI:: https://doi.org/10.17188/1685577

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                    The Materials Project. Materials Data on Dy2FeSi4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685577.

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                    The Materials Project. Materials Data on Dy2FeSi4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685577

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                    The Materials Project. 2019.  
"Materials Data on Dy2FeSi4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685577.  https://www.osti.gov/servlets/purl/1685577. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1685577,

  title        = {Materials Data on Dy2FeSi4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy2FeSi4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Dy–Si bond distances ranging from 3.04–3.18 Å. In the second Dy3+ site, Dy3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Dy–Si bond distances ranging from 3.05–3.15 Å. Fe2+ is bonded to four Si2- atoms to form distorted corner-sharing FeSi4 trigonal pyramids. There are two shorter (2.19 Å) and two longer (2.21 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 2-coordinate geometry to five Dy3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.45 Å. In the second Si2- site, Si2- is bonded in a 2-coordinate geometry to five Dy3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.42 Å. In the third Si2- site, Si2- is bonded in a 9-coordinate geometry to six Dy3+ and three Si2- atoms. Both Si–Si bond lengths are 2.39 Å. In the fourth Si2- site, Si2- is bonded in a 9-coordinate geometry to six Dy3+ and three Si2- atoms.},

  doi          = {10.17188/1685577},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Jan 13 00:00:00 EST 2019},

  month        = {Sun Jan 13 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1685577

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