Materials Data on Sc5Si3 by Materials Project

doi:10.17188/1675598

Title: Materials Data on Sc5Si3 by Materials Project

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Abstract

Sc5Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Sc+2.40+ sites. In the first Sc+2.40+ site, Sc+2.40+ is bonded in a trigonal planar geometry to three Si4- atoms. All Sc–Si bond lengths are 2.64 Å. In the second Sc+2.40+ site, Sc+2.40+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Sc–Si bond distances ranging from 2.77–3.14 Å. In the third Sc+2.40+ site, Sc+2.40+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Sc–Si bond distances ranging from 2.77–3.13 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 7-coordinate geometry to seven Sc+2.40+ atoms. In the second Si4- site, Si4- is bonded in a 7-coordinate geometry to seven Sc+2.40+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1190215

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; Sc5Si3; Sc-Si

OSTI Identifier:: 1675598

DOI:: https://doi.org/10.17188/1675598

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                    The Materials Project. Materials Data on Sc5Si3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675598.

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                    The Materials Project. Materials Data on Sc5Si3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675598

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                    The Materials Project. 2020.  
"Materials Data on Sc5Si3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675598.  https://www.osti.gov/servlets/purl/1675598. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1675598,

  title        = {Materials Data on Sc5Si3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc5Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Sc+2.40+ sites. In the first Sc+2.40+ site, Sc+2.40+ is bonded in a trigonal planar geometry to three Si4- atoms. All Sc–Si bond lengths are 2.64 Å. In the second Sc+2.40+ site, Sc+2.40+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Sc–Si bond distances ranging from 2.77–3.14 Å. In the third Sc+2.40+ site, Sc+2.40+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Sc–Si bond distances ranging from 2.77–3.13 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 7-coordinate geometry to seven Sc+2.40+ atoms. In the second Si4- site, Si4- is bonded in a 7-coordinate geometry to seven Sc+2.40+ atoms.},

  doi          = {10.17188/1675598},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1675598

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