Materials Data on Tm13Zn58 by Materials Project

doi:10.17188/1665606

Title: Materials Data on Tm13Zn58 by Materials Project

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Abstract

Tm13Zn58 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to fourteen Zn atoms. There are a spread of Tm–Zn bond distances ranging from 2.86–3.48 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to fifteen Zn atoms. There are a spread of Tm–Zn bond distances ranging from 3.02–3.28 Å. In the third Tm site, Tm is bonded in a 6-coordinate geometry to thirteen Zn atoms. There are a spread of Tm–Zn bond distances ranging from 2.95–3.22 Å. In the fourth Tm site, Tm is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Tm–Zn bond distances ranging from 3.00–3.20 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.51–2.63 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Tm and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.55–2.97 Å. In the third Znmore »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1202379

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; Tm13Zn58; Tm-Zn

OSTI Identifier:: 1665606

DOI:: https://doi.org/10.17188/1665606

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                    The Materials Project. Materials Data on Tm13Zn58 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1665606.

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                    The Materials Project. Materials Data on Tm13Zn58 by Materials Project.  United States.  doi:https://doi.org/10.17188/1665606

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                    The Materials Project. 2019.  
"Materials Data on Tm13Zn58 by Materials Project".  United States.  doi:https://doi.org/10.17188/1665606.  https://www.osti.gov/servlets/purl/1665606. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1665606,

  title        = {Materials Data on Tm13Zn58 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm13Zn58 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to fourteen Zn atoms. There are a spread of Tm–Zn bond distances ranging from 2.86–3.48 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to fifteen Zn atoms. There are a spread of Tm–Zn bond distances ranging from 3.02–3.28 Å. In the third Tm site, Tm is bonded in a 6-coordinate geometry to thirteen Zn atoms. There are a spread of Tm–Zn bond distances ranging from 2.95–3.22 Å. In the fourth Tm site, Tm is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Tm–Zn bond distances ranging from 3.00–3.20 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.51–2.63 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Tm and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.55–2.97 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four Tm and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.67 Å. In the fourth Zn site, Zn is bonded to two equivalent Tm and ten Zn atoms to form face-sharing ZnTm2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.66–2.72 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to four Tm and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.73 Å. In the sixth Zn site, Zn is bonded in a 9-coordinate geometry to three Tm and six Zn atoms. There are two shorter (2.57 Å) and two longer (2.86 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded in a 2-coordinate geometry to three Tm and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–3.00 Å. In the eighth Zn site, Zn is bonded in a 8-coordinate geometry to four Tm and seven Zn atoms. There are one shorter (2.99 Å) and one longer (3.06 Å) Zn–Zn bond lengths. In the ninth Zn site, Zn is bonded in a 10-coordinate geometry to three Tm and nine Zn atoms. There are one shorter (2.60 Å) and two longer (2.80 Å) Zn–Zn bond lengths. In the tenth Zn site, Zn is bonded in a 11-coordinate geometry to five Tm and six equivalent Zn atoms. In the eleventh Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Zn atoms. In the twelfth Zn site, Zn is bonded to three equivalent Tm and nine Zn atoms to form face-sharing ZnTm3Zn9 cuboctahedra.},

  doi          = {10.17188/1665606},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1665606

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