Materials Data on YbH12C8NO8 by Materials Project

doi:10.17188/1733423

Title: Materials Data on YbH12C8NO8 by Materials Project

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Abstract

Yb(CO2)4N(CH3)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one Yb(CO2)4 framework. In the Yb(CO2)4 framework, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.39 Å) and four longer (2.47 Å) Yb–O bond lengths. C+0.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Yb3+ and one C+0.50+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one C+0.50+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1198865

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; YbH12C8NO8; C-H-N-O-Yb

OSTI Identifier:: 1733423

DOI:: https://doi.org/10.17188/1733423

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                    The Materials Project. Materials Data on YbH12C8NO8 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1733423.

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                    The Materials Project. Materials Data on YbH12C8NO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733423

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                    The Materials Project. 2019.  
"Materials Data on YbH12C8NO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733423.  https://www.osti.gov/servlets/purl/1733423. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1733423,

  title        = {Materials Data on YbH12C8NO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb(CO2)4N(CH3)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one Yb(CO2)4 framework. In the Yb(CO2)4 framework, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.39 Å) and four longer (2.47 Å) Yb–O bond lengths. C+0.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Yb3+ and one C+0.50+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one C+0.50+ atom.},

  doi          = {10.17188/1733423},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1733423

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