Materials Data on Zn3(SnRu)2 by Materials Project

doi:10.17188/1652046

Title: Materials Data on Zn3(SnRu)2 by Materials Project

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Abstract

Zn3(RuSn)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to four Zn and five Sn atoms. There are two shorter (2.65 Å) and two longer (2.69 Å) Ru–Zn bond lengths. There are a spread of Ru–Sn bond distances ranging from 2.63–2.83 Å. In the second Ru site, Ru is bonded in a 10-coordinate geometry to seven Zn and three Sn atoms. There are a spread of Ru–Zn bond distances ranging from 2.64–2.85 Å. There are a spread of Ru–Sn bond distances ranging from 2.68–2.89 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to three equivalent Ru, four Zn, and one Sn atom. There are a spread of Zn–Zn bond distances ranging from 2.46–2.86 Å. The Zn–Sn bond length is 3.22 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Ru, three Zn, and five Sn atoms. There are one shorter (2.63 Å) and one longer (2.70 Å) Zn–Zn bond lengths. There are a spread of Zn–Sn bond distances ranging from 2.94–3.21 Å.more »« less

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1193382

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; Zn3(SnRu)2; Ru-Sn-Zn

OSTI Identifier:: 1652046

DOI:: https://doi.org/10.17188/1652046

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                    The Materials Project. Materials Data on Zn3(SnRu)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1652046.

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                    The Materials Project. Materials Data on Zn3(SnRu)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652046

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                    The Materials Project. 2019.  
"Materials Data on Zn3(SnRu)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652046.  https://www.osti.gov/servlets/purl/1652046. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1652046,

  title        = {Materials Data on Zn3(SnRu)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn3(RuSn)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to four Zn and five Sn atoms. There are two shorter (2.65 Å) and two longer (2.69 Å) Ru–Zn bond lengths. There are a spread of Ru–Sn bond distances ranging from 2.63–2.83 Å. In the second Ru site, Ru is bonded in a 10-coordinate geometry to seven Zn and three Sn atoms. There are a spread of Ru–Zn bond distances ranging from 2.64–2.85 Å. There are a spread of Ru–Sn bond distances ranging from 2.68–2.89 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to three equivalent Ru, four Zn, and one Sn atom. There are a spread of Zn–Zn bond distances ranging from 2.46–2.86 Å. The Zn–Sn bond length is 3.22 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Ru, three Zn, and five Sn atoms. There are one shorter (2.63 Å) and one longer (2.70 Å) Zn–Zn bond lengths. There are a spread of Zn–Sn bond distances ranging from 2.94–3.21 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to four Ru, three Zn, and four equivalent Sn atoms. There are two shorter (3.00 Å) and two longer (3.11 Å) Zn–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four Ru and six Zn atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four Ru and four Zn atoms.},

  doi          = {10.17188/1652046},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1652046

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