Materials Data on YbCO3 by Materials Project

doi:10.17188/1289835

Title: Materials Data on YbCO3 by Materials Project

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Abstract

YbCO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.64 Å. In the second Yb2+ site, Yb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.64 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bondmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-755213

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; YbCO3; C-O-Yb

OSTI Identifier:: 1289835

DOI:: https://doi.org/10.17188/1289835

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                    The Materials Project. Materials Data on YbCO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289835.

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                    The Materials Project. Materials Data on YbCO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289835

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                    The Materials Project. 2020.  
"Materials Data on YbCO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289835.  https://www.osti.gov/servlets/purl/1289835. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1289835,

  title        = {Materials Data on YbCO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YbCO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.64 Å. In the second Yb2+ site, Yb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.64 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Yb2+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Yb2+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom.},

  doi          = {10.17188/1289835},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1289835

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