Materials Data on Er3Co2Si3 by Materials Project

doi:10.17188/1738231

Title: Materials Data on Er3Co2Si3 by Materials Project

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Abstract

Er3Co2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to five Si4- atoms to form ErSi5 trigonal bipyramids that share corners with four equivalent CoSi4 tetrahedra, corners with six equivalent ErSi5 trigonal bipyramids, and edges with four equivalent CoSi4 tetrahedra. There are a spread of Er–Si bond distances ranging from 2.83–3.18 Å. In the second Er3+ site, Er3+ is bonded in a 6-coordinate geometry to seven Si4- atoms. There are a spread of Er–Si bond distances ranging from 2.89–3.26 Å. Co+1.50+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with three equivalent CoSi4 tetrahedra, corners with two equivalent ErSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with two equivalent ErSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.32–2.56 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Er3+ and two equivalent Co+1.50+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Er3+, three equivalent Co+1.50+, and one Si4- atom. The Si–Si bondmore » length is 2.68 Å.« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1212859

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; Er3Co2Si3; Co-Er-Si

OSTI Identifier:: 1738231

DOI:: https://doi.org/10.17188/1738231

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                    The Materials Project. Materials Data on Er3Co2Si3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738231.

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                    The Materials Project. Materials Data on Er3Co2Si3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738231

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                    The Materials Project. 2020.  
"Materials Data on Er3Co2Si3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738231.  https://www.osti.gov/servlets/purl/1738231. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1738231,

  title        = {Materials Data on Er3Co2Si3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er3Co2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to five Si4- atoms to form ErSi5 trigonal bipyramids that share corners with four equivalent CoSi4 tetrahedra, corners with six equivalent ErSi5 trigonal bipyramids, and edges with four equivalent CoSi4 tetrahedra. There are a spread of Er–Si bond distances ranging from 2.83–3.18 Å. In the second Er3+ site, Er3+ is bonded in a 6-coordinate geometry to seven Si4- atoms. There are a spread of Er–Si bond distances ranging from 2.89–3.26 Å. Co+1.50+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with three equivalent CoSi4 tetrahedra, corners with two equivalent ErSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with two equivalent ErSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.32–2.56 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Er3+ and two equivalent Co+1.50+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Er3+, three equivalent Co+1.50+, and one Si4- atom. The Si–Si bond length is 2.68 Å.},

  doi          = {10.17188/1738231},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1738231

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