Materials Data on Cr5Si3C by Materials Project

doi:10.17188/1733042

Title: Materials Data on Cr5Si3C by Materials Project

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Abstract

Cr5Si3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded in a 8-coordinate geometry to two equivalent Cr3+ and six equivalent Si4- atoms. Both Cr–Cr bond lengths are 2.41 Å. All Cr–Si bond lengths are 2.43 Å. In the second Cr3+ site, Cr3+ is bonded in a 7-coordinate geometry to five equivalent Si4- and two equivalent C3- atoms. There are a spread of Cr–Si bond distances ranging from 2.44–2.70 Å. Both Cr–C bond lengths are 2.00 Å. Si4- is bonded in a 9-coordinate geometry to nine Cr3+ atoms. C3- is bonded to six equivalent Cr3+ atoms to form face-sharing CCr6 octahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 19 00:00:00 EDT 2018

Other Number(s):: mp-1105327

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; Cr5Si3C; C-Cr-Si

OSTI Identifier:: 1733042

DOI:: https://doi.org/10.17188/1733042

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                    The Materials Project. Materials Data on Cr5Si3C by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1733042.

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                    The Materials Project. Materials Data on Cr5Si3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1733042

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                    The Materials Project. 2018.  
"Materials Data on Cr5Si3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1733042.  https://www.osti.gov/servlets/purl/1733042. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1733042,

  title        = {Materials Data on Cr5Si3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr5Si3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded in a 8-coordinate geometry to two equivalent Cr3+ and six equivalent Si4- atoms. Both Cr–Cr bond lengths are 2.41 Å. All Cr–Si bond lengths are 2.43 Å. In the second Cr3+ site, Cr3+ is bonded in a 7-coordinate geometry to five equivalent Si4- and two equivalent C3- atoms. There are a spread of Cr–Si bond distances ranging from 2.44–2.70 Å. Both Cr–C bond lengths are 2.00 Å. Si4- is bonded in a 9-coordinate geometry to nine Cr3+ atoms. C3- is bonded to six equivalent Cr3+ atoms to form face-sharing CCr6 octahedra.},

  doi          = {10.17188/1733042},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 19 00:00:00 EDT 2018},

  month        = {Thu Jul 19 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1733042

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