Materials Data on Cs2CO3 by Materials Project

doi:10.17188/1277857

Title: Materials Data on Cs2CO3 by Materials Project

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Abstract

Cs2CO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.17–3.39 Å. In the second Cs1+ site, Cs1+ is bonded to six O2- atoms to form distorted face-sharing CsO6 octahedra. There are a spread of Cs–O bond distances ranging from 2.99–3.43 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-616458

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; Cs2CO3; C-Cs-O

OSTI Identifier:: 1277857

DOI:: https://doi.org/10.17188/1277857

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                    The Materials Project. Materials Data on Cs2CO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277857.

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                    The Materials Project. Materials Data on Cs2CO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277857

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                    The Materials Project. 2020.  
"Materials Data on Cs2CO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277857.  https://www.osti.gov/servlets/purl/1277857. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1277857,

  title        = {Materials Data on Cs2CO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2CO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.17–3.39 Å. In the second Cs1+ site, Cs1+ is bonded to six O2- atoms to form distorted face-sharing CsO6 octahedra. There are a spread of Cs–O bond distances ranging from 2.99–3.43 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one C4+ atom.},

  doi          = {10.17188/1277857},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277857

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