Materials Data on Sm2Co18Si4C3 by Materials Project

doi:10.17188/1691123

Title: Materials Data on Sm2Co18Si4C3 by Materials Project

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Abstract

Sm2Co18Si4C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm3+ is bonded in a T-shaped geometry to three C4- atoms. There are two shorter (2.60 Å) and one longer (2.63 Å) Sm–C bond lengths. There are five inequivalent Co+1.22+ sites. In the first Co+1.22+ site, Co+1.22+ is bonded in a single-bond geometry to two Si4- and one C4- atom. There are one shorter (2.35 Å) and one longer (2.38 Å) Co–Si bond lengths. The Co–C bond length is 1.83 Å. In the second Co+1.22+ site, Co+1.22+ is bonded in a single-bond geometry to two Si4- and one C4- atom. There are one shorter (2.36 Å) and one longer (2.37 Å) Co–Si bond lengths. The Co–C bond length is 1.83 Å. In the third Co+1.22+ site, Co+1.22+ is bonded in a water-like geometry to two Si4- atoms. There are one shorter (2.37 Å) and one longer (2.42 Å) Co–Si bond lengths. In the fourth Co+1.22+ site, Co+1.22+ is bonded in a single-bond geometry to two Si4- and one C4- atom. There are one shorter (2.34 Å) and one longer (2.41 Å) Co–Si bond lengths. The Co–C bond length is 1.83 Å. In the fifth Co+1.22+ site, Co+1.22+ ismore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1219302

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; Sm2Co18Si4C3; C-Co-Si-Sm

OSTI Identifier:: 1691123

DOI:: https://doi.org/10.17188/1691123

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                    The Materials Project. Materials Data on Sm2Co18Si4C3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1691123.

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                    The Materials Project. Materials Data on Sm2Co18Si4C3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1691123

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                    The Materials Project. 2020.  
"Materials Data on Sm2Co18Si4C3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1691123.  https://www.osti.gov/servlets/purl/1691123. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1691123,

  title        = {Materials Data on Sm2Co18Si4C3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2Co18Si4C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm3+ is bonded in a T-shaped geometry to three C4- atoms. There are two shorter (2.60 Å) and one longer (2.63 Å) Sm–C bond lengths. There are five inequivalent Co+1.22+ sites. In the first Co+1.22+ site, Co+1.22+ is bonded in a single-bond geometry to two Si4- and one C4- atom. There are one shorter (2.35 Å) and one longer (2.38 Å) Co–Si bond lengths. The Co–C bond length is 1.83 Å. In the second Co+1.22+ site, Co+1.22+ is bonded in a single-bond geometry to two Si4- and one C4- atom. There are one shorter (2.36 Å) and one longer (2.37 Å) Co–Si bond lengths. The Co–C bond length is 1.83 Å. In the third Co+1.22+ site, Co+1.22+ is bonded in a water-like geometry to two Si4- atoms. There are one shorter (2.37 Å) and one longer (2.42 Å) Co–Si bond lengths. In the fourth Co+1.22+ site, Co+1.22+ is bonded in a single-bond geometry to two Si4- and one C4- atom. There are one shorter (2.34 Å) and one longer (2.41 Å) Co–Si bond lengths. The Co–C bond length is 1.83 Å. In the fifth Co+1.22+ site, Co+1.22+ is bonded to four Si4- atoms to form distorted corner-sharing CoSi4 trigonal pyramids. There are a spread of Co–Si bond distances ranging from 2.58–2.62 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 12-coordinate geometry to ten Co+1.22+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to ten Co+1.22+ atoms. In the third Si4- site, Si4- is bonded in a 10-coordinate geometry to ten Co+1.22+ atoms. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to two equivalent Sm3+ and four Co+1.22+ atoms to form corner-sharing CSm2Co4 octahedra. The corner-sharing octahedra tilt angles range from 37–86°. In the second C4- site, C4- is bonded to two equivalent Sm3+ and four equivalent Co+1.22+ atoms to form corner-sharing CSm2Co4 octahedra. The corner-sharing octahedral tilt angles are 86°.},

  doi          = {10.17188/1691123},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1691123

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