Materials Data on Cr5Si3 by Materials Project

doi:10.17188/1288520

Title: Materials Data on Cr5Si3 by Materials Project

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Abstract

Cr5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr+2.40+ sites. In the first Cr+2.40+ site, Cr+2.40+ is bonded in a distorted hexagonal planar geometry to two equivalent Cr+2.40+ and four equivalent Si4- atoms. Both Cr–Cr bond lengths are 2.29 Å. All Cr–Si bond lengths are 2.43 Å. In the second Cr+2.40+ site, Cr+2.40+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.39–2.62 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to eight equivalent Cr+2.40+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.29 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to ten Cr+2.40+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-7506

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; Cr5Si3; Cr-Si

OSTI Identifier:: 1288520

DOI:: https://doi.org/10.17188/1288520

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                    The Materials Project. Materials Data on Cr5Si3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288520.

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                    The Materials Project. Materials Data on Cr5Si3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288520

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                    The Materials Project. 2020.  
"Materials Data on Cr5Si3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288520.  https://www.osti.gov/servlets/purl/1288520. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1288520,

  title        = {Materials Data on Cr5Si3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr+2.40+ sites. In the first Cr+2.40+ site, Cr+2.40+ is bonded in a distorted hexagonal planar geometry to two equivalent Cr+2.40+ and four equivalent Si4- atoms. Both Cr–Cr bond lengths are 2.29 Å. All Cr–Si bond lengths are 2.43 Å. In the second Cr+2.40+ site, Cr+2.40+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.39–2.62 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to eight equivalent Cr+2.40+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.29 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to ten Cr+2.40+ atoms.},

  doi          = {10.17188/1288520},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1288520

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