Materials Data on Ce3Sb3Au2 by Materials Project

doi:10.17188/1275383

Title: Materials Data on Ce3Sb3Au2 by Materials Project

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Abstract

Ce3Au2Sb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six Sb3- atoms to form a mixture of corner and edge-sharing CeSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.22 Å) and three longer (3.27 Å) Ce–Sb bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Sb3- atoms. All Ce–Au bond lengths are 3.08 Å. All Ce–Sb bond lengths are 3.54 Å. Au is bonded in a 6-coordinate geometry to three equivalent Ce3+ and three equivalent Sb3- atoms. All Au–Sb bond lengths are 2.81 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six Ce3+ and three equivalent Au atoms. In the second Sb3- site, Sb3- is bonded to six equivalent Ce3+ atoms to form edge-sharing SbCe6 octahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-569941

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; Ce3Sb3Au2; Au-Ce-Sb

OSTI Identifier:: 1275383

DOI:: https://doi.org/10.17188/1275383

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                    The Materials Project. Materials Data on Ce3Sb3Au2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275383.

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                    The Materials Project. Materials Data on Ce3Sb3Au2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275383

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                    The Materials Project. 2020.  
"Materials Data on Ce3Sb3Au2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275383.  https://www.osti.gov/servlets/purl/1275383. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1275383,

  title        = {Materials Data on Ce3Sb3Au2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce3Au2Sb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six Sb3- atoms to form a mixture of corner and edge-sharing CeSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.22 Å) and three longer (3.27 Å) Ce–Sb bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Sb3- atoms. All Ce–Au bond lengths are 3.08 Å. All Ce–Sb bond lengths are 3.54 Å. Au is bonded in a 6-coordinate geometry to three equivalent Ce3+ and three equivalent Sb3- atoms. All Au–Sb bond lengths are 2.81 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six Ce3+ and three equivalent Au atoms. In the second Sb3- site, Sb3- is bonded to six equivalent Ce3+ atoms to form edge-sharing SbCe6 octahedra.},

  doi          = {10.17188/1275383},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275383

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