Materials Data on Hf2In5 by Materials Project

doi:10.17188/1197316

Title: Materials Data on Hf2In5 by Materials Project

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Abstract

Hf2In5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Hf is bonded to two equivalent Hf and ten In atoms to form a mixture of distorted edge, face, and corner-sharing HfHf2In10 cuboctahedra. Both Hf–Hf bond lengths are 3.08 Å. There are a spread of Hf–In bond distances ranging from 3.06–3.17 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to four equivalent Hf and six In atoms. There are two shorter (3.08 Å) and four longer (3.10 Å) In–In bond lengths. In the second In site, In is bonded in a 10-coordinate geometry to four equivalent Hf and six In atoms. There are a spread of In–In bond distances ranging from 3.08–3.39 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-22050

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; Hf2In5; Hf-In

OSTI Identifier:: 1197316

DOI:: https://doi.org/10.17188/1197316

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                    The Materials Project. Materials Data on Hf2In5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197316.

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                    The Materials Project. Materials Data on Hf2In5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197316

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                    The Materials Project. 2020.  
"Materials Data on Hf2In5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197316.  https://www.osti.gov/servlets/purl/1197316. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1197316,

  title        = {Materials Data on Hf2In5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hf2In5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Hf is bonded to two equivalent Hf and ten In atoms to form a mixture of distorted edge, face, and corner-sharing HfHf2In10 cuboctahedra. Both Hf–Hf bond lengths are 3.08 Å. There are a spread of Hf–In bond distances ranging from 3.06–3.17 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to four equivalent Hf and six In atoms. There are two shorter (3.08 Å) and four longer (3.10 Å) In–In bond lengths. In the second In site, In is bonded in a 10-coordinate geometry to four equivalent Hf and six In atoms. There are a spread of In–In bond distances ranging from 3.08–3.39 Å.},

  doi          = {10.17188/1197316},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197316

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