Materials Data on YbPrSe3 by Materials Project

doi:10.17188/1188363

Title: Materials Data on YbPrSe3 by Materials Project

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Abstract

PrYbSe3 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 68°. There are two shorter (2.81 Å) and four longer (2.99 Å) Yb–Se bond lengths. Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.93–3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent Pr3+ atoms to form corner-sharing SeYb2Pr2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Pr3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-11786

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; YbPrSe3; Pr-Se-Yb

OSTI Identifier:: 1188363

DOI:: https://doi.org/10.17188/1188363

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                    The Materials Project. Materials Data on YbPrSe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188363.

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                    The Materials Project. Materials Data on YbPrSe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188363

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                    The Materials Project. 2020.  
"Materials Data on YbPrSe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188363.  https://www.osti.gov/servlets/purl/1188363. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1188363,

  title        = {Materials Data on YbPrSe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrYbSe3 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 68°. There are two shorter (2.81 Å) and four longer (2.99 Å) Yb–Se bond lengths. Pr3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.93–3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb3+ and two equivalent Pr3+ atoms to form corner-sharing SeYb2Pr2 tetrahedra. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three equivalent Pr3+ atoms.},

  doi          = {10.17188/1188363},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1188363

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