Materials Data on KY(CO3)2 by Materials Project

doi:10.17188/1711217

Title: Materials Data on KY(CO3)2 by Materials Project

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Abstract

KY(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.24 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.50 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Y3+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Y3+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Y3+, and one C4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1211274

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; KY(CO3)2; C-K-O-Y

OSTI Identifier:: 1711217

DOI:: https://doi.org/10.17188/1711217

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                    The Materials Project. Materials Data on KY(CO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711217.

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                    The Materials Project. Materials Data on KY(CO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711217

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                    The Materials Project. 2020.  
"Materials Data on KY(CO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711217.  https://www.osti.gov/servlets/purl/1711217. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1711217,

  title        = {Materials Data on KY(CO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KY(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.24 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.50 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Y3+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Y3+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Y3+, and one C4+ atom.},

  doi          = {10.17188/1711217},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711217

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