Materials Data on KAlSi2 by Materials Project

doi:10.17188/1738034

Title: Materials Data on KAlSi2 by Materials Project

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Abstract

KAlSi2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to three equivalent Al and six Si atoms. There are a spread of K–Al bond distances ranging from 3.27–3.33 Å. There are a spread of K–Si bond distances ranging from 3.28–3.33 Å. Al is bonded in a 7-coordinate geometry to three equivalent K and four Si atoms. There are one shorter (2.60 Å) and three longer (2.61 Å) Al–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to three equivalent K, two equivalent Al, and two equivalent Si atoms. Both Si–Si bond lengths are 2.47 Å. In the second Si site, Si is bonded in a 2-coordinate geometry to three equivalent K, two equivalent Al, and two equivalent Si atoms. Both Si–Si bond lengths are 2.47 Å.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1180795

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; KAlSi2; Al-K-Si

OSTI Identifier:: 1738034

DOI:: https://doi.org/10.17188/1738034

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                    The Materials Project. Materials Data on KAlSi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738034.

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                    The Materials Project. Materials Data on KAlSi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738034

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                    The Materials Project. 2020.  
"Materials Data on KAlSi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738034.  https://www.osti.gov/servlets/purl/1738034. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1738034,

  title        = {Materials Data on KAlSi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KAlSi2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to three equivalent Al and six Si atoms. There are a spread of K–Al bond distances ranging from 3.27–3.33 Å. There are a spread of K–Si bond distances ranging from 3.28–3.33 Å. Al is bonded in a 7-coordinate geometry to three equivalent K and four Si atoms. There are one shorter (2.60 Å) and three longer (2.61 Å) Al–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to three equivalent K, two equivalent Al, and two equivalent Si atoms. Both Si–Si bond lengths are 2.47 Å. In the second Si site, Si is bonded in a 2-coordinate geometry to three equivalent K, two equivalent Al, and two equivalent Si atoms. Both Si–Si bond lengths are 2.47 Å.},

  doi          = {10.17188/1738034},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1738034

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