Materials Data on Tb2Zn17 by Materials Project

doi:10.17188/1205234

Title: Materials Data on Tb2Zn17 by Materials Project

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Abstract

Tb2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.09–3.40 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.14–3.46 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three Tb and nine Zn atoms to form distorted ZnTb3Zn9 cuboctahedra that share corners with twenty-three ZnTb2Zn10 cuboctahedra, edges with ten ZnTb2Zn10 cuboctahedra, and faces with twenty ZnTb3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.54–2.88 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Tb and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.97 Å. In the third Zn site, Zn is bonded to two equivalent Tb and ten Zn atoms to form ZnTb2Zn10 cuboctahedra that share corners with twenty-two ZnTb2Zn10 cuboctahedra, edges with ten ZnTb2Zn10 cuboctahedra, and faces with eighteen ZnTb3Zn9 cuboctahedra. Allmore »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-30880

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; Tb2Zn17; Tb-Zn

OSTI Identifier:: 1205234

DOI:: https://doi.org/10.17188/1205234

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                    The Materials Project. Materials Data on Tb2Zn17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205234.

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                    The Materials Project. Materials Data on Tb2Zn17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205234

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                    The Materials Project. 2020.  
"Materials Data on Tb2Zn17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205234.  https://www.osti.gov/servlets/purl/1205234. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1205234,

  title        = {Materials Data on Tb2Zn17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.09–3.40 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.14–3.46 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three Tb and nine Zn atoms to form distorted ZnTb3Zn9 cuboctahedra that share corners with twenty-three ZnTb2Zn10 cuboctahedra, edges with ten ZnTb2Zn10 cuboctahedra, and faces with twenty ZnTb3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.54–2.88 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Tb and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.97 Å. In the third Zn site, Zn is bonded to two equivalent Tb and ten Zn atoms to form ZnTb2Zn10 cuboctahedra that share corners with twenty-two ZnTb2Zn10 cuboctahedra, edges with ten ZnTb2Zn10 cuboctahedra, and faces with eighteen ZnTb3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.60 Å. In the fourth Zn site, Zn is bonded to two Tb and ten Zn atoms to form distorted ZnTb2Zn10 cuboctahedra that share corners with twenty-four ZnTb3Zn9 cuboctahedra, edges with five ZnTb2Zn10 cuboctahedra, and faces with twenty-one ZnTb3Zn9 cuboctahedra. There are one shorter (2.61 Å) and one longer (2.73 Å) Zn–Zn bond lengths.},

  doi          = {10.17188/1205234},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205234

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