Materials Data on ScCuSi by Materials Project

doi:10.17188/1195236

Title: Materials Data on ScCuSi by Materials Project

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Abstract

ScCuSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc3+ is bonded to five equivalent Si4- atoms to form distorted ScSi5 square pyramids that share corners with eight equivalent ScSi5 square pyramids, corners with eight equivalent CuSi4 tetrahedra, edges with six equivalent ScSi5 square pyramids, and edges with six equivalent CuSi4 tetrahedra. There are a spread of Sc–Si bond distances ranging from 2.78–2.83 Å. Cu1+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with eight equivalent ScSi5 square pyramids, corners with eight equivalent CuSi4 tetrahedra, edges with six equivalent ScSi5 square pyramids, and edges with two equivalent CuSi4 tetrahedra. There are a spread of Cu–Si bond distances ranging from 2.40–2.55 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Sc3+ and four equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-20083

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; ScCuSi; Cu-Sc-Si

OSTI Identifier:: 1195236

DOI:: https://doi.org/10.17188/1195236

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                    The Materials Project. Materials Data on ScCuSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195236.

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                    The Materials Project. Materials Data on ScCuSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1195236

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                    The Materials Project. 2020.  
"Materials Data on ScCuSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1195236.  https://www.osti.gov/servlets/purl/1195236. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195236,

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

  author       = {The Materials Project},

  abstractNote = {ScCuSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc3+ is bonded to five equivalent Si4- atoms to form distorted ScSi5 square pyramids that share corners with eight equivalent ScSi5 square pyramids, corners with eight equivalent CuSi4 tetrahedra, edges with six equivalent ScSi5 square pyramids, and edges with six equivalent CuSi4 tetrahedra. There are a spread of Sc–Si bond distances ranging from 2.78–2.83 Å. Cu1+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with eight equivalent ScSi5 square pyramids, corners with eight equivalent CuSi4 tetrahedra, edges with six equivalent ScSi5 square pyramids, and edges with two equivalent CuSi4 tetrahedra. There are a spread of Cu–Si bond distances ranging from 2.40–2.55 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Sc3+ and four equivalent Cu1+ atoms.},

  doi          = {10.17188/1195236},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1195236

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