Materials Data on KC2 by Materials Project

doi:10.17188/1724809

Title: Materials Data on KC2 by Materials Project

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Abstract

KC2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted q4 geometry to ten C+0.50- atoms. There are a spread of K–C bond distances ranging from 3.09–3.17 Å. There are two inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a 6-coordinate geometry to five equivalent K1+ and one C+0.50- atom. The C–C bond length is 1.27 Å. In the second C+0.50- site, C+0.50- is bonded to five equivalent K1+ and one C+0.50- atom to form a mixture of distorted corner and edge-sharing CK5C octahedra. The corner-sharing octahedral tilt angles are 21°.

Authors:: The Materials Project

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

Other Number(s):: mp-1072274

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; KC2; C-K

OSTI Identifier:: 1724809

DOI:: https://doi.org/10.17188/1724809

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                    The Materials Project. Materials Data on KC2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1724809.

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                    The Materials Project. Materials Data on KC2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1724809

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                    The Materials Project. 2020.  
"Materials Data on KC2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1724809.  https://www.osti.gov/servlets/purl/1724809. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1724809,

  title        = {Materials Data on KC2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KC2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted q4 geometry to ten C+0.50- atoms. There are a spread of K–C bond distances ranging from 3.09–3.17 Å. There are two inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a 6-coordinate geometry to five equivalent K1+ and one C+0.50- atom. The C–C bond length is 1.27 Å. In the second C+0.50- site, C+0.50- is bonded to five equivalent K1+ and one C+0.50- atom to form a mixture of distorted corner and edge-sharing CK5C octahedra. The corner-sharing octahedral tilt angles are 21°.},

  doi          = {10.17188/1724809},

  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/10.17188/1724809

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