Materials Data on Nd2Sn4Ru by Materials Project

doi:10.17188/1705815

Title: Materials Data on Nd2Sn4Ru by Materials Project

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Abstract

Nd2RuSn4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 11-coordinate geometry to one Ru and ten Sn atoms. The Nd–Ru bond length is 3.37 Å. There are a spread of Nd–Sn bond distances ranging from 3.26–3.37 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to four equivalent Ru and ten Sn atoms. All Nd–Ru bond lengths are 3.71 Å. There are a spread of Nd–Sn bond distances ranging from 3.46–3.80 Å. Ru is bonded in a 5-coordinate geometry to five Nd and five Sn atoms. There are a spread of Ru–Sn bond distances ranging from 2.57–2.61 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six Nd, one Ru, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Nd and two equivalent Ru atoms. In the fourth Snmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1220534

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; Nd2Sn4Ru; Nd-Ru-Sn

OSTI Identifier:: 1705815

DOI:: https://doi.org/10.17188/1705815

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                    The Materials Project. Materials Data on Nd2Sn4Ru by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1705815.

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                    The Materials Project. Materials Data on Nd2Sn4Ru by Materials Project.  United States.  doi:https://doi.org/10.17188/1705815

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                    The Materials Project. 2019.  
"Materials Data on Nd2Sn4Ru by Materials Project".  United States.  doi:https://doi.org/10.17188/1705815.  https://www.osti.gov/servlets/purl/1705815. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1705815,

  title        = {Materials Data on Nd2Sn4Ru by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd2RuSn4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 11-coordinate geometry to one Ru and ten Sn atoms. The Nd–Ru bond length is 3.37 Å. There are a spread of Nd–Sn bond distances ranging from 3.26–3.37 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to four equivalent Ru and ten Sn atoms. All Nd–Ru bond lengths are 3.71 Å. There are a spread of Nd–Sn bond distances ranging from 3.46–3.80 Å. Ru is bonded in a 5-coordinate geometry to five Nd and five Sn atoms. There are a spread of Ru–Sn bond distances ranging from 2.57–2.61 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six Nd, one Ru, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Nd and two equivalent Ru atoms. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to four Nd and two equivalent Ru atoms.},

  doi          = {10.17188/1705815},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1705815

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