Materials Data on LuNiSn4 by Materials Project

doi:10.17188/1205655

Title: Materials Data on LuNiSn4 by Materials Project

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Abstract

LuNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Lu–Sn bond distances ranging from 3.19–3.43 Å. Ni is bonded in a distorted body-centered cubic geometry to eight Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.67–2.76 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Lu and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.03 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Lu and two equivalent Ni atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Lu and two equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-31433

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; LuNiSn4; Lu-Ni-Sn

OSTI Identifier:: 1205655

DOI:: https://doi.org/10.17188/1205655

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                    The Materials Project. Materials Data on LuNiSn4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205655.

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                    The Materials Project. Materials Data on LuNiSn4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205655

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                    The Materials Project. 2020.  
"Materials Data on LuNiSn4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205655.  https://www.osti.gov/servlets/purl/1205655. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205655,

  title        = {Materials Data on LuNiSn4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LuNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Lu–Sn bond distances ranging from 3.19–3.43 Å. Ni is bonded in a distorted body-centered cubic geometry to eight Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.67–2.76 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Lu and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.03 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Lu and two equivalent Ni atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Lu and two equivalent Ni atoms.},

  doi          = {10.17188/1205655},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205655

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