Materials Data on LaCo9Si4 by Materials Project

doi:10.17188/1274226

Title: Materials Data on LaCo9Si4 by Materials Project

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Abstract

LaCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.25 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.47 Å) and two longer (2.53 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 edge and corner-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.32–2.43 Å. In the third Co+1.44+ site, Co+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.32 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent La3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.77 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-568056

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; LaCo9Si4; Co-La-Si

OSTI Identifier:: 1274226

DOI:: https://doi.org/10.17188/1274226

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                    The Materials Project. Materials Data on LaCo9Si4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274226.

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                    The Materials Project. Materials Data on LaCo9Si4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274226

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                    The Materials Project. 2020.  
"Materials Data on LaCo9Si4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274226.  https://www.osti.gov/servlets/purl/1274226. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1274226,

  title        = {Materials Data on LaCo9Si4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.25 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.47 Å) and two longer (2.53 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 edge and corner-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.32–2.43 Å. In the third Co+1.44+ site, Co+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.32 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent La3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.77 Å.},

  doi          = {10.17188/1274226},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274226

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