Materials Data on CeIr5 by Materials Project

doi:10.17188/1204911

Title: Materials Data on CeIr5 by Materials Project

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Abstract

CeIr5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to eighteen Ir atoms. There are six shorter (3.06 Å) and twelve longer (3.43 Å) Ce–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ir atoms. There are six shorter (2.66 Å) and three longer (3.06 Å) Ir–Ir bond lengths. In the second Ir site, Ir is bonded to four equivalent Ce and eight Ir atoms to form a mixture of corner, edge, and face-sharing IrCe4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.65 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-30507

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; CeIr5; Ce-Ir

OSTI Identifier:: 1204911

DOI:: https://doi.org/10.17188/1204911

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                    The Materials Project. Materials Data on CeIr5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204911.

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                    The Materials Project. Materials Data on CeIr5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204911

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                    The Materials Project. 2020.  
"Materials Data on CeIr5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204911.  https://www.osti.gov/servlets/purl/1204911. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1204911,

  title        = {Materials Data on CeIr5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeIr5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to eighteen Ir atoms. There are six shorter (3.06 Å) and twelve longer (3.43 Å) Ce–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ir atoms. There are six shorter (2.66 Å) and three longer (3.06 Å) Ir–Ir bond lengths. In the second Ir site, Ir is bonded to four equivalent Ce and eight Ir atoms to form a mixture of corner, edge, and face-sharing IrCe4Ir8 cuboctahedra. All Ir–Ir bond lengths are 2.65 Å.},

  doi          = {10.17188/1204911},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1204911

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