Materials Data on GdH8C10N(O2F3)4 by Materials Project

doi:10.17188/1268375

Title: Materials Data on GdH8C10N(O2F3)4 by Materials Project

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Abstract

Gd(CO2)4(CH3)2NH2(CF3)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two dimethylazanium molecules; eight fluoroform molecules; and one Gd(CO2)4 ribbon oriented in the (1, 0, 0) direction. In the Gd(CO2)4 ribbon, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.38–2.52 Å. There are four inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) C–O bond length. In the second C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. In the third C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) C–O bond length. In the fourth C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to onemore »« less

Publication Date:: 2020-04-29

Other Number(s):: mp-567268

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; C-F-Gd-H-N-O; GdH8C10N(O2F3)4; crystal structure

OSTI Identifier:: 1268375

DOI:: https://doi.org/10.17188/1268375

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                    Materials Data on GdH8C10N(O2F3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268375.

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                    Materials Data on GdH8C10N(O2F3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268375

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                    2020.  
"Materials Data on GdH8C10N(O2F3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268375.  https://www.osti.gov/servlets/purl/1268375. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1268375,

  title        = {Materials Data on GdH8C10N(O2F3)4 by Materials Project},

  
  abstractNote = {Gd(CO2)4(CH3)2NH2(CF3)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two dimethylazanium molecules; eight fluoroform molecules; and one Gd(CO2)4 ribbon oriented in the (1, 0, 0) direction. In the Gd(CO2)4 ribbon, Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.38–2.52 Å. There are four inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) C–O bond length. In the second C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. In the third C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) C–O bond length. In the fourth C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Gd3+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom.},

  doi          = {10.17188/1268375},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1268375

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