Materials Data on YbNdSe3 by Materials Project

doi:10.17188/1188376

Title: Materials Data on YbNdSe3 by Materials Project

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Abstract

NdYbSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.81 Å) and four longer (2.99 Å) Yb–Se bond lengths. Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Nd–Se bond distances ranging from 2.91–3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent Nd3+ atoms to form corner-sharing SeYb2Nd2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Nd3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-11787

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; YbNdSe3; Nd-Se-Yb

OSTI Identifier:: 1188376

DOI:: https://doi.org/10.17188/1188376

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                    The Materials Project. Materials Data on YbNdSe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188376.

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                    The Materials Project. Materials Data on YbNdSe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188376

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                    The Materials Project. 2020.  
"Materials Data on YbNdSe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188376.  https://www.osti.gov/servlets/purl/1188376. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1188376,

  title        = {Materials Data on YbNdSe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdYbSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.81 Å) and four longer (2.99 Å) Yb–Se bond lengths. Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Nd–Se bond distances ranging from 2.91–3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent Nd3+ atoms to form corner-sharing SeYb2Nd2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Nd3+ atoms.},

  doi          = {10.17188/1188376},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1188376

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