Materials Data on K2CO3 by Materials Project

doi:10.17188/1207681

Title: Materials Data on K2CO3 by Materials Project

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Abstract

K2CO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six O2- atoms to form face-sharing KO6 octahedra. There are a spread of K–O bond distances ranging from 2.66–2.84 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.87–3.11 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.30 Å) and two longer (1.31 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-3963

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; K2CO3; C-K-O

OSTI Identifier:: 1207681

DOI:: https://doi.org/10.17188/1207681

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                    The Materials Project. Materials Data on K2CO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207681.

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                    The Materials Project. Materials Data on K2CO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207681

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                    The Materials Project. 2020.  
"Materials Data on K2CO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207681.  https://www.osti.gov/servlets/purl/1207681. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1207681,

  title        = {Materials Data on K2CO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2CO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six O2- atoms to form face-sharing KO6 octahedra. There are a spread of K–O bond distances ranging from 2.66–2.84 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.87–3.11 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.30 Å) and two longer (1.31 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one C4+ atom.},

  doi          = {10.17188/1207681},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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