Materials Data on U2Zn17 by Materials Project

doi:10.17188/1275137

Title: Materials Data on U2Zn17 by Materials Project

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Abstract

U2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of U–Zn bond distances ranging from 3.14–3.48 Å. In the second U site, U is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of U–Zn bond distances ranging from 3.08–3.40 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to two U and ten Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnU2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.61–2.99 Å. In the second Zn site, Zn is bonded to two equivalent U and ten Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnU2Zn10 cuboctahedra. There are four shorter (2.64 Å) and two longer (2.74 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 12-coordinate geometry to three U and nine Zn atoms. There are two shorter (2.55 Å) and one longer (2.89 Å) Zn–Zn bond lengths. In the fourth Zn site, Znmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-569518

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; U2Zn17; U-Zn

OSTI Identifier:: 1275137

DOI:: https://doi.org/10.17188/1275137

Citation Formats


                    The Materials Project. Materials Data on U2Zn17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275137.

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                    The Materials Project. Materials Data on U2Zn17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275137

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                    The Materials Project. 2020.  
"Materials Data on U2Zn17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275137.  https://www.osti.gov/servlets/purl/1275137. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1275137,

  title        = {Materials Data on U2Zn17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of U–Zn bond distances ranging from 3.14–3.48 Å. In the second U site, U is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of U–Zn bond distances ranging from 3.08–3.40 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to two U and ten Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnU2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.61–2.99 Å. In the second Zn site, Zn is bonded to two equivalent U and ten Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnU2Zn10 cuboctahedra. There are four shorter (2.64 Å) and two longer (2.74 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 12-coordinate geometry to three U and nine Zn atoms. There are two shorter (2.55 Å) and one longer (2.89 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 2-coordinate geometry to one U and thirteen Zn atoms. The Zn–Zn bond length is 2.64 Å.},

  doi          = {10.17188/1275137},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275137

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