Materials Data on GdCo9Si4 by Materials Project

doi:10.17188/1272723

Title: Materials Data on GdCo9Si4 by Materials Project

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Abstract

GdCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Gd–Si bond lengths are 3.17 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded in a 3-coordinate geometry to one Co+1.44+ and four equivalent Si4- atoms. The Co–Co bond length is 2.13 Å. There are two shorter (2.29 Å) and two longer (2.91 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of distorted corner and edge-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.28–2.43 Å. In the third Co+1.44+ site, Co+1.44+ is bonded in a square co-planar geometry to four equivalent Co+1.44+ atoms. Si4- is bonded in a 10-coordinate geometry to two equivalent Gd3+ and eight Co+1.44+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-601400

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; GdCo9Si4; Co-Gd-Si

OSTI Identifier:: 1272723

DOI:: https://doi.org/10.17188/1272723

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                    The Materials Project. Materials Data on GdCo9Si4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272723.

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                    The Materials Project. Materials Data on GdCo9Si4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272723

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                    The Materials Project. 2020.  
"Materials Data on GdCo9Si4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272723.  https://www.osti.gov/servlets/purl/1272723. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1272723,

  title        = {Materials Data on GdCo9Si4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GdCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Gd–Si bond lengths are 3.17 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded in a 3-coordinate geometry to one Co+1.44+ and four equivalent Si4- atoms. The Co–Co bond length is 2.13 Å. There are two shorter (2.29 Å) and two longer (2.91 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of distorted corner and edge-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.28–2.43 Å. In the third Co+1.44+ site, Co+1.44+ is bonded in a square co-planar geometry to four equivalent Co+1.44+ atoms. Si4- is bonded in a 10-coordinate geometry to two equivalent Gd3+ and eight Co+1.44+ atoms.},

  doi          = {10.17188/1272723},

  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/10.17188/1272723

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