Materials Data on Zn3Ru by Materials Project

doi:10.17188/1189757

Title: Materials Data on Zn3Ru by Materials Project

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Abstract

RuZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ru is bonded to twelve Zn atoms to form RuZn12 cuboctahedra that share corners with four equivalent ZnZn8Ru4 cuboctahedra, corners with eight equivalent RuZn12 cuboctahedra, edges with four equivalent RuZn12 cuboctahedra, edges with twelve ZnZn8Ru4 cuboctahedra, faces with five equivalent RuZn12 cuboctahedra, and faces with nine ZnZn8Ru4 cuboctahedra. There are a spread of Ru–Zn bond distances ranging from 2.63–2.81 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ru and eight Zn atoms to form distorted ZnZn8Ru4 cuboctahedra that share corners with four equivalent RuZn12 cuboctahedra, corners with eight equivalent ZnZn8Ru4 cuboctahedra, edges with four equivalent RuZn12 cuboctahedra, edges with twelve ZnZn8Ru4 cuboctahedra, faces with five equivalent RuZn12 cuboctahedra, and faces with nine ZnZn8Ru4 cuboctahedra. There are four shorter (2.68 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Ru and four equivalent Zn atoms. In the third Zn site, Zn is bonded to four equivalent Ru and eight Zn atoms to form ZnZn8Ru4 cuboctahedra that sharemore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-1380

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; Zn3Ru; Ru-Zn

OSTI Identifier:: 1189757

DOI:: https://doi.org/10.17188/1189757

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                    The Materials Project. Materials Data on Zn3Ru by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189757.

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                    The Materials Project. Materials Data on Zn3Ru by Materials Project.  United States.  doi:https://doi.org/10.17188/1189757

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                    The Materials Project. 2020.  
"Materials Data on Zn3Ru by Materials Project".  United States.  doi:https://doi.org/10.17188/1189757.  https://www.osti.gov/servlets/purl/1189757. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189757,

  title        = {Materials Data on Zn3Ru by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RuZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ru is bonded to twelve Zn atoms to form RuZn12 cuboctahedra that share corners with four equivalent ZnZn8Ru4 cuboctahedra, corners with eight equivalent RuZn12 cuboctahedra, edges with four equivalent RuZn12 cuboctahedra, edges with twelve ZnZn8Ru4 cuboctahedra, faces with five equivalent RuZn12 cuboctahedra, and faces with nine ZnZn8Ru4 cuboctahedra. There are a spread of Ru–Zn bond distances ranging from 2.63–2.81 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ru and eight Zn atoms to form distorted ZnZn8Ru4 cuboctahedra that share corners with four equivalent RuZn12 cuboctahedra, corners with eight equivalent ZnZn8Ru4 cuboctahedra, edges with four equivalent RuZn12 cuboctahedra, edges with twelve ZnZn8Ru4 cuboctahedra, faces with five equivalent RuZn12 cuboctahedra, and faces with nine ZnZn8Ru4 cuboctahedra. There are four shorter (2.68 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Ru and four equivalent Zn atoms. In the third Zn site, Zn is bonded to four equivalent Ru and eight Zn atoms to form ZnZn8Ru4 cuboctahedra that share corners with four equivalent ZnZn8Ru4 cuboctahedra, edges with eight equivalent RuZn12 cuboctahedra, edges with eight equivalent ZnZn8Ru4 cuboctahedra, faces with four equivalent RuZn12 cuboctahedra, and faces with twelve ZnZn8Ru4 cuboctahedra. All Zn–Zn bond lengths are 2.68 Å.},

  doi          = {10.17188/1189757},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189757

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