Materials Data on La2Zn17 by Materials Project

doi:10.17188/1205068

Title: Materials Data on La2Zn17 by Materials Project

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Abstract

La2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to nineteen Zn atoms. There are a spread of La–Zn bond distances ranging from 3.19–3.50 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent La and nine Zn atoms to form distorted ZnLa3Zn9 cuboctahedra that share corners with twenty-three ZnLa2Zn10 cuboctahedra, edges with ten ZnLa2Zn10 cuboctahedra, and faces with twenty ZnLa3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.61–2.89 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one La and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.96 Å. In the third Zn site, Zn is bonded to two equivalent La and ten Zn atoms to form ZnLa2Zn10 cuboctahedra that share corners with twenty-two ZnLa2Zn10 cuboctahedra, edges with ten ZnLa2Zn10 cuboctahedra, and faces with eighteen ZnLa3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.62 Å. In the fourth Zn site, Zn is bonded to two equivalent La and ten Zn atoms to form distorted ZnLa2Zn10 cuboctahedra that share corners with twenty-four ZnLa2Zn10 cuboctahedra, edges with five ZnLa2Zn10more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-30709

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; La2Zn17; La-Zn

OSTI Identifier:: 1205068

DOI:: https://doi.org/10.17188/1205068

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                    The Materials Project. Materials Data on La2Zn17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205068.

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                    The Materials Project. Materials Data on La2Zn17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205068

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                    The Materials Project. 2020.  
"Materials Data on La2Zn17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205068.  https://www.osti.gov/servlets/purl/1205068. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205068,

  title        = {Materials Data on La2Zn17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to nineteen Zn atoms. There are a spread of La–Zn bond distances ranging from 3.19–3.50 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent La and nine Zn atoms to form distorted ZnLa3Zn9 cuboctahedra that share corners with twenty-three ZnLa2Zn10 cuboctahedra, edges with ten ZnLa2Zn10 cuboctahedra, and faces with twenty ZnLa3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.61–2.89 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one La and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.96 Å. In the third Zn site, Zn is bonded to two equivalent La and ten Zn atoms to form ZnLa2Zn10 cuboctahedra that share corners with twenty-two ZnLa2Zn10 cuboctahedra, edges with ten ZnLa2Zn10 cuboctahedra, and faces with eighteen ZnLa3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.62 Å. In the fourth Zn site, Zn is bonded to two equivalent La and ten Zn atoms to form distorted ZnLa2Zn10 cuboctahedra that share corners with twenty-four ZnLa2Zn10 cuboctahedra, edges with five ZnLa2Zn10 cuboctahedra, and faces with twenty-one ZnLa3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.65 Å.},

  doi          = {10.17188/1205068},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205068

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