Materials Data on Ce6P17Pd6 by Materials Project

doi:10.17188/1262052

Title: Materials Data on Ce6P17Pd6 by Materials Project

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Abstract

Ce6Pd6P17 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ce+3.17+ is bonded in a 7-coordinate geometry to seven P+2.06- atoms. There are a spread of Ce–P bond distances ranging from 2.92–3.17 Å. Pd+2.67+ is bonded in a square co-planar geometry to four equivalent P+2.06- atoms. All Pd–P bond lengths are 2.36 Å. There are three inequivalent P+2.06- sites. In the first P+2.06- site, P+2.06- is bonded in a 5-coordinate geometry to two equivalent Ce+3.17+, two equivalent Pd+2.67+, and one P+2.06- atom. The P–P bond length is 2.22 Å. In the second P+2.06- site, P+2.06- is bonded to three equivalent Ce+3.17+ and three equivalent P+2.06- atoms to form distorted PCe3P3 pentagonal pyramids that share corners with three equivalent PCe3P3 pentagonal pyramids and a faceface with one PCe6 octahedra. In the third P+2.06- site, P+2.06- is bonded to six equivalent Ce+3.17+ atoms to form face-sharing PCe6 octahedra.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-504776

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; Ce6P17Pd6; Ce-P-Pd

OSTI Identifier:: 1262052

DOI:: https://doi.org/10.17188/1262052

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                    The Materials Project. Materials Data on Ce6P17Pd6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262052.

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                    The Materials Project. Materials Data on Ce6P17Pd6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262052

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                    The Materials Project. 2020.  
"Materials Data on Ce6P17Pd6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262052.  https://www.osti.gov/servlets/purl/1262052. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1262052,

  title        = {Materials Data on Ce6P17Pd6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce6Pd6P17 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ce+3.17+ is bonded in a 7-coordinate geometry to seven P+2.06- atoms. There are a spread of Ce–P bond distances ranging from 2.92–3.17 Å. Pd+2.67+ is bonded in a square co-planar geometry to four equivalent P+2.06- atoms. All Pd–P bond lengths are 2.36 Å. There are three inequivalent P+2.06- sites. In the first P+2.06- site, P+2.06- is bonded in a 5-coordinate geometry to two equivalent Ce+3.17+, two equivalent Pd+2.67+, and one P+2.06- atom. The P–P bond length is 2.22 Å. In the second P+2.06- site, P+2.06- is bonded to three equivalent Ce+3.17+ and three equivalent P+2.06- atoms to form distorted PCe3P3 pentagonal pyramids that share corners with three equivalent PCe3P3 pentagonal pyramids and a faceface with one PCe6 octahedra. In the third P+2.06- site, P+2.06- is bonded to six equivalent Ce+3.17+ atoms to form face-sharing PCe6 octahedra.},

  doi          = {10.17188/1262052},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262052

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