Materials Data on Hf5CuSn3 by Materials Project

doi:10.17188/1205683

Title: Materials Data on Hf5CuSn3 by Materials Project

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Abstract

Hf5CuSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Hf–Sn bond lengths are 3.03 Å. In the second Hf site, Hf is bonded to two equivalent Cu and five equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing HfCu2Sn5 pentagonal bipyramids. Both Hf–Cu bond lengths are 2.69 Å. There are a spread of Hf–Sn bond distances ranging from 2.94–3.11 Å. Cu is bonded to six equivalent Hf atoms to form face-sharing CuHf6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Hf atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-31469

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; Hf5CuSn3; Cu-Hf-Sn

OSTI Identifier:: 1205683

DOI:: https://doi.org/10.17188/1205683

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                    The Materials Project. Materials Data on Hf5CuSn3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205683.

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                    The Materials Project. Materials Data on Hf5CuSn3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205683

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                    The Materials Project. 2020.  
"Materials Data on Hf5CuSn3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205683.  https://www.osti.gov/servlets/purl/1205683. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205683,

  title        = {Materials Data on Hf5CuSn3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hf5CuSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Hf–Sn bond lengths are 3.03 Å. In the second Hf site, Hf is bonded to two equivalent Cu and five equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing HfCu2Sn5 pentagonal bipyramids. Both Hf–Cu bond lengths are 2.69 Å. There are a spread of Hf–Sn bond distances ranging from 2.94–3.11 Å. Cu is bonded to six equivalent Hf atoms to form face-sharing CuHf6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Hf atoms.},

  doi          = {10.17188/1205683},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205683

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