Materials Data on Ce3PI3 by Materials Project

doi:10.17188/1663081

Title: Materials Data on Ce3PI3 by Materials Project

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Abstract

Ce3PI3 is Corundum-derived structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Ce is bonded to two equivalent P and four equivalent I atoms to form a mixture of edge and corner-sharing CeP2I4 octahedra. The corner-sharing octahedra tilt angles range from 6–11°. Both Ce–P bond lengths are 2.85 Å. There are two shorter (3.20 Å) and two longer (3.28 Å) Ce–I bond lengths. P is bonded to six equivalent Ce atoms to form edge-sharing PCe6 octahedra. I is bonded in a rectangular see-saw-like geometry to four equivalent Ce atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1213898

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; Ce3PI3; Ce-I-P

OSTI Identifier:: 1663081

DOI:: https://doi.org/10.17188/1663081

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                    The Materials Project. Materials Data on Ce3PI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663081.

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                    The Materials Project. Materials Data on Ce3PI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663081

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                    The Materials Project. 2020.  
"Materials Data on Ce3PI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663081.  https://www.osti.gov/servlets/purl/1663081. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1663081,

  title        = {Materials Data on Ce3PI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce3PI3 is Corundum-derived structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Ce is bonded to two equivalent P and four equivalent I atoms to form a mixture of edge and corner-sharing CeP2I4 octahedra. The corner-sharing octahedra tilt angles range from 6–11°. Both Ce–P bond lengths are 2.85 Å. There are two shorter (3.20 Å) and two longer (3.28 Å) Ce–I bond lengths. P is bonded to six equivalent Ce atoms to form edge-sharing PCe6 octahedra. I is bonded in a rectangular see-saw-like geometry to four equivalent Ce atoms.},

  doi          = {10.17188/1663081},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1663081

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