Materials Data on Gd2CoSi2 by Materials Project

doi:10.17188/1711975

Title: Materials Data on Gd2CoSi2 by Materials Project

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Abstract

Gd2CoSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Gd–Si bond distances ranging from 2.88–3.28 Å. In the second Gd3+ site, Gd3+ is bonded to six Si4- atoms to form distorted GdSi6 pentagonal pyramids that share corners with four equivalent GdSi6 pentagonal pyramids, corners with four equivalent CoSi4 tetrahedra, edges with six equivalent GdSi6 pentagonal pyramids, edges with two equivalent CoSi4 tetrahedra, and a faceface with one GdSi6 pentagonal pyramid. There are a spread of Gd–Si bond distances ranging from 2.89–3.20 Å. Co2+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with four equivalent GdSi6 pentagonal pyramids, corners with two equivalent CoSi4 tetrahedra, edges with two equivalent GdSi6 pentagonal pyramids, and edges with two equivalent CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.32–2.49 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to six Gd3+, three equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.86 Å. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-26

Other Number(s):: mp-1080595

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; Gd2CoSi2; Co-Gd-Si

OSTI Identifier:: 1711975

DOI:: https://doi.org/10.17188/1711975

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                    The Materials Project. Materials Data on Gd2CoSi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711975.

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                    The Materials Project. Materials Data on Gd2CoSi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711975

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                    The Materials Project. 2020.  
"Materials Data on Gd2CoSi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711975.  https://www.osti.gov/servlets/purl/1711975. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1711975,

  title        = {Materials Data on Gd2CoSi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd2CoSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Gd–Si bond distances ranging from 2.88–3.28 Å. In the second Gd3+ site, Gd3+ is bonded to six Si4- atoms to form distorted GdSi6 pentagonal pyramids that share corners with four equivalent GdSi6 pentagonal pyramids, corners with four equivalent CoSi4 tetrahedra, edges with six equivalent GdSi6 pentagonal pyramids, edges with two equivalent CoSi4 tetrahedra, and a faceface with one GdSi6 pentagonal pyramid. There are a spread of Gd–Si bond distances ranging from 2.89–3.20 Å. Co2+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with four equivalent GdSi6 pentagonal pyramids, corners with two equivalent CoSi4 tetrahedra, edges with two equivalent GdSi6 pentagonal pyramids, and edges with two equivalent CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.32–2.49 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to six Gd3+, three equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.86 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Gd3+, one Co2+, and one Si4- atom. The Si–Si bond length is 2.56 Å.},

  doi          = {10.17188/1711975},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1711975

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