Materials Data on Ce2In by Materials Project

doi:10.17188/1194941

Title: Materials Data on Ce2In by Materials Project

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Abstract

Ce2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to six equivalent Ce and five equivalent In atoms to form a mixture of corner and face-sharing CeCe6In5 trigonal bipyramids. All Ce–Ce bond lengths are 3.58 Å. There are three shorter (3.17 Å) and two longer (3.35 Å) Ce–In bond lengths. In the second Ce site, Ce is bonded in a 6-coordinate geometry to eight Ce and six equivalent In atoms. Both Ce–Ce bond lengths are 3.35 Å. All Ce–In bond lengths are 3.58 Å. In is bonded in a 11-coordinate geometry to eleven Ce atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-19733

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; Ce2In; Ce-In

OSTI Identifier:: 1194941

DOI:: https://doi.org/10.17188/1194941

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                    The Materials Project. Materials Data on Ce2In by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194941.

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                    The Materials Project. Materials Data on Ce2In by Materials Project.  United States.  doi:https://doi.org/10.17188/1194941

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                    The Materials Project. 2020.  
"Materials Data on Ce2In by Materials Project".  United States.  doi:https://doi.org/10.17188/1194941.  https://www.osti.gov/servlets/purl/1194941. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1194941,

  title        = {Materials Data on Ce2In by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to six equivalent Ce and five equivalent In atoms to form a mixture of corner and face-sharing CeCe6In5 trigonal bipyramids. All Ce–Ce bond lengths are 3.58 Å. There are three shorter (3.17 Å) and two longer (3.35 Å) Ce–In bond lengths. In the second Ce site, Ce is bonded in a 6-coordinate geometry to eight Ce and six equivalent In atoms. Both Ce–Ce bond lengths are 3.35 Å. All Ce–In bond lengths are 3.58 Å. In is bonded in a 11-coordinate geometry to eleven Ce atoms.},

  doi          = {10.17188/1194941},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1194941

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