Materials Data on DyH9C5(NO4)2 by Materials Project

doi:10.17188/1285353

Title: Materials Data on DyH9C5(NO4)2 by Materials Project

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Abstract

DyC5H9(NO4)2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.30–2.45 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the second C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.28 Å. In the third C2+ site, C2+ is bonded in a trigonal planar geometry to one N3-, one H1+, and one O2- atom. The C–N bond length is 1.32 Å. The C–H bond length is 1.10 Å. The C–O bond length is 1.26 Å. N3- is bonded in a trigonal planar geometry to one C2+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are five inequivalent H1+ sites. In the first H1+ site,more »« less

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-698454

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; DyH9C5(NO4)2; C-Dy-H-N-O

OSTI Identifier:: 1285353

DOI:: https://doi.org/10.17188/1285353

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                    The Materials Project. Materials Data on DyH9C5(NO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285353.

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                    The Materials Project. Materials Data on DyH9C5(NO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1285353

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                    The Materials Project. 2020.  
"Materials Data on DyH9C5(NO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1285353.  https://www.osti.gov/servlets/purl/1285353. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1285353,

  title        = {Materials Data on DyH9C5(NO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {DyC5H9(NO4)2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.30–2.45 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the second C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.28 Å. In the third C2+ site, C2+ is bonded in a trigonal planar geometry to one N3-, one H1+, and one O2- atom. The C–N bond length is 1.32 Å. The C–H bond length is 1.10 Å. The C–O bond length is 1.26 Å. N3- is bonded in a trigonal planar geometry to one C2+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Dy3+ and one C2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Dy3+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Dy3+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Dy3+ and one C2+ atom.},

  doi          = {10.17188/1285353},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1285353

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