Materials Data on Na3Eu2(GeSe3)2 by Materials Project

doi:10.17188/1689264

Title: Materials Data on Na3Eu2(GeSe3)2 by Materials Project

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Abstract

Na3Eu2(GeSe3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six Se2- atoms to form NaSe6 octahedra that share corners with four equivalent EuSe6 octahedra, edges with four equivalent EuSe6 octahedra, and edges with six NaSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Na–Se bond distances ranging from 3.08–3.17 Å. In the second Na1+ site, Na1+ is bonded to six Se2- atoms to form NaSe6 octahedra that share corners with four equivalent EuSe6 octahedra, edges with four equivalent EuSe6 octahedra, and edges with six equivalent NaSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four shorter (3.12 Å) and two longer (3.13 Å) Na–Se bond lengths. Eu+2.50+ is bonded to six Se2- atoms to form EuSe6 octahedra that share corners with six NaSe6 octahedra, edges with three equivalent EuSe6 octahedra, and edges with six NaSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are two shorter (3.12 Å) and four longer (3.13 Å) Eu–Se bond lengths. Ge2+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.52more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1210456

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; Na3Eu2(GeSe3)2; Eu-Ge-Na-Se

OSTI Identifier:: 1689264

DOI:: https://doi.org/10.17188/1689264

Citation Formats


                    The Materials Project. Materials Data on Na3Eu2(GeSe3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689264.

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                    The Materials Project. Materials Data on Na3Eu2(GeSe3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1689264

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                    The Materials Project. 2020.  
"Materials Data on Na3Eu2(GeSe3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1689264.  https://www.osti.gov/servlets/purl/1689264. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1689264,

  title        = {Materials Data on Na3Eu2(GeSe3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3Eu2(GeSe3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six Se2- atoms to form NaSe6 octahedra that share corners with four equivalent EuSe6 octahedra, edges with four equivalent EuSe6 octahedra, and edges with six NaSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Na–Se bond distances ranging from 3.08–3.17 Å. In the second Na1+ site, Na1+ is bonded to six Se2- atoms to form NaSe6 octahedra that share corners with four equivalent EuSe6 octahedra, edges with four equivalent EuSe6 octahedra, and edges with six equivalent NaSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four shorter (3.12 Å) and two longer (3.13 Å) Na–Se bond lengths. Eu+2.50+ is bonded to six Se2- atoms to form EuSe6 octahedra that share corners with six NaSe6 octahedra, edges with three equivalent EuSe6 octahedra, and edges with six NaSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are two shorter (3.12 Å) and four longer (3.13 Å) Eu–Se bond lengths. Ge2+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.52 Å) and two longer (2.53 Å) Ge–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Na1+, two equivalent Eu+2.50+, and one Ge2+ atom to form a mixture of edge and corner-sharing SeNa3Eu2Ge octahedra. The corner-sharing octahedra tilt angles range from 0–87°. In the second Se2- site, Se2- is bonded to three Na1+, two equivalent Eu+2.50+, and one Ge2+ atom to form a mixture of edge and corner-sharing SeNa3Eu2Ge octahedra. The corner-sharing octahedra tilt angles range from 0–87°.},

  doi          = {10.17188/1689264},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1689264

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