Materials Data on U2Zn17 by Materials Project

doi:10.17188/1283623

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 four inequivalent U sites. In the first 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. In the second U site, U is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of U–Zn bond distances ranging from 3.10–3.44 Å. In the third 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 fourth U site, U is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of U–Zn bond distances ranging from 3.11–3.44 Å. There are ten inequivalent Zn sites. In the first Zn site, Zn is bonded to two U and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnU2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.99 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three U and nine Zn atoms. There are a spread of Zn–Znmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-680401

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:: 1283623

DOI:: https://doi.org/10.17188/1283623

Citation Formats


                    The Materials Project. Materials Data on U2Zn17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1283623.

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                    The Materials Project. Materials Data on U2Zn17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283623

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                    The Materials Project. 2020.  
"Materials Data on U2Zn17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283623.  https://www.osti.gov/servlets/purl/1283623. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1283623,

  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 four inequivalent U sites. In the first 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. In the second U site, U is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of U–Zn bond distances ranging from 3.10–3.44 Å. In the third 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 fourth U site, U is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of U–Zn bond distances ranging from 3.11–3.44 Å. There are ten inequivalent Zn sites. In the first Zn site, Zn is bonded to two U and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnU2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.60–2.99 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three U and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.86 Å. In the third Zn site, Zn is bonded to three U and nine Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnU3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.56–2.86 Å. In the fourth Zn site, Zn is bonded to two U and ten Zn atoms to form distorted ZnU2Zn10 cuboctahedra that share corners with twenty-two ZnU2Zn10 cuboctahedra, edges with five ZnU3Zn9 cuboctahedra, and faces with eighteen ZnU2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–3.00 Å. In the fifth Zn site, Zn is bonded in a 2-coordinate geometry to one U and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.65–2.88 Å. In the sixth Zn site, Zn is bonded in a 2-coordinate geometry to one U and thirteen Zn atoms. All Zn–Zn bond lengths are 2.73 Å. In the seventh Zn site, Zn is bonded to three U and nine Zn atoms to form distorted ZnU3Zn9 cuboctahedra that share corners with twenty ZnU2Zn10 cuboctahedra, edges with seven ZnU3Zn9 cuboctahedra, and faces with eighteen ZnU2Zn10 cuboctahedra. Both Zn–Zn bond lengths are 2.64 Å. In the eighth Zn site, Zn is bonded to two U and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnU2Zn10 cuboctahedra. The Zn–Zn bond length is 2.73 Å. In the ninth Zn site, Zn is bonded in a 2-coordinate geometry to one U and thirteen Zn atoms. The Zn–Zn bond length is 2.66 Å. In the tenth Zn site, Zn is bonded to two equivalent U and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnU2Zn10 cuboctahedra.},

  doi          = {10.17188/1283623},

  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/10.17188/1283623

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