Materials Data on Cr3Si5 by Materials Project

doi:10.17188/1662488

Title: Materials Data on Cr3Si5 by Materials Project

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Abstract

Cr3Si5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Cr–Si bond distances ranging from 2.41–2.68 Å. In the second Cr4+ site, Cr4+ is bonded in a 10-coordinate geometry to two equivalent Cr4+ and eight equivalent Si+2.40- atoms. Both Cr–Cr bond lengths are 2.35 Å. All Cr–Si bond lengths are 2.56 Å. There are two inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to four equivalent Cr4+ and ten Si+2.40- atoms. There are two shorter (2.35 Å) and eight longer (2.80 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to six Cr4+ and five Si+2.40- atoms. There are one shorter (2.56 Å) and two longer (2.69 Å) Si–Si bond lengths.

Authors:: The Materials Project

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

Other Number(s):: mp-1105936

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; Cr3Si5; Cr-Si

OSTI Identifier:: 1662488

DOI:: https://doi.org/10.17188/1662488

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                    The Materials Project. Materials Data on Cr3Si5 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1662488.

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                    The Materials Project. Materials Data on Cr3Si5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662488

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                    The Materials Project. 2018.  
"Materials Data on Cr3Si5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662488.  https://www.osti.gov/servlets/purl/1662488. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1662488,

  title        = {Materials Data on Cr3Si5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr3Si5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Cr–Si bond distances ranging from 2.41–2.68 Å. In the second Cr4+ site, Cr4+ is bonded in a 10-coordinate geometry to two equivalent Cr4+ and eight equivalent Si+2.40- atoms. Both Cr–Cr bond lengths are 2.35 Å. All Cr–Si bond lengths are 2.56 Å. There are two inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to four equivalent Cr4+ and ten Si+2.40- atoms. There are two shorter (2.35 Å) and eight longer (2.80 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to six Cr4+ and five Si+2.40- atoms. There are one shorter (2.56 Å) and two longer (2.69 Å) Si–Si bond lengths.},

  doi          = {10.17188/1662488},

  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/10.17188/1662488

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