Materials Data on SmCr2Si2C by Materials Project

doi:10.17188/1662404

Title: Materials Data on SmCr2Si2C by Materials Project

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Abstract

SmCr2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Sm–Si bond lengths are 3.07 Å. Both Sm–C bond lengths are 2.66 Å. Cr+4.50+ is bonded in a distorted linear geometry to four equivalent Si4- and two equivalent C4- atoms. All Cr–Si bond lengths are 2.45 Å. Both Cr–C bond lengths are 1.99 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm3+, four equivalent Cr+4.50+, and one Si4- atom. The Si–Si bond length is 2.46 Å. C4- is bonded to two equivalent Sm3+ and four equivalent Cr+4.50+ atoms to form corner-sharing CSm2Cr4 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1206312

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; SmCr2Si2C; C-Cr-Si-Sm

OSTI Identifier:: 1662404

DOI:: https://doi.org/10.17188/1662404

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                    The Materials Project. Materials Data on SmCr2Si2C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662404.

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                    The Materials Project. Materials Data on SmCr2Si2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1662404

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                    The Materials Project. 2020.  
"Materials Data on SmCr2Si2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1662404.  https://www.osti.gov/servlets/purl/1662404. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1662404,

  title        = {Materials Data on SmCr2Si2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmCr2Si2C crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted linear geometry to eight equivalent Si4- and two equivalent C4- atoms. All Sm–Si bond lengths are 3.07 Å. Both Sm–C bond lengths are 2.66 Å. Cr+4.50+ is bonded in a distorted linear geometry to four equivalent Si4- and two equivalent C4- atoms. All Cr–Si bond lengths are 2.45 Å. Both Cr–C bond lengths are 1.99 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm3+, four equivalent Cr+4.50+, and one Si4- atom. The Si–Si bond length is 2.46 Å. C4- is bonded to two equivalent Sm3+ and four equivalent Cr+4.50+ atoms to form corner-sharing CSm2Cr4 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1662404},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662404

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