Materials Data on Mn3Ni3Sn2 by Materials Project

doi:10.17188/1739138

Title: Materials Data on Mn3Ni3Sn2 by Materials Project

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Abstract

Mn3Ni3Sn2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to three equivalent Mn, five Ni, and six Sn atoms. All Mn–Mn bond lengths are 2.64 Å. There are a spread of Mn–Ni bond distances ranging from 2.54–2.61 Å. There are three shorter (3.08 Å) and three longer (3.12 Å) Mn–Sn bond lengths. In the second Mn site, Mn is bonded in a 7-coordinate geometry to one Mn, seven Ni, and six Sn atoms. The Mn–Mn bond length is 2.70 Å. There are a spread of Mn–Ni bond distances ranging from 2.65–2.68 Å. There are three shorter (2.99 Å) and three longer (3.01 Å) Mn–Sn bond lengths. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four Mn, six Ni, and four Sn atoms. There are three shorter (2.99 Å) and three longer (3.02 Å) Mn–Ni bond lengths. There are one shorter (2.67 Å) and three longer (2.69 Å) Mn–Sn bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn andmore »« less

Authors:: The Materials Project

Publication Date:: 2020-06-04

Other Number(s):: mp-1221922

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; Mn3Ni3Sn2; Mn-Ni-Sn

OSTI Identifier:: 1739138

DOI:: https://doi.org/10.17188/1739138

Citation Formats


                    The Materials Project. Materials Data on Mn3Ni3Sn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1739138.

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                    The Materials Project. Materials Data on Mn3Ni3Sn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1739138

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                    The Materials Project. 2020.  
"Materials Data on Mn3Ni3Sn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1739138.  https://www.osti.gov/servlets/purl/1739138. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1739138,

  title        = {Materials Data on Mn3Ni3Sn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3Ni3Sn2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to three equivalent Mn, five Ni, and six Sn atoms. All Mn–Mn bond lengths are 2.64 Å. There are a spread of Mn–Ni bond distances ranging from 2.54–2.61 Å. There are three shorter (3.08 Å) and three longer (3.12 Å) Mn–Sn bond lengths. In the second Mn site, Mn is bonded in a 7-coordinate geometry to one Mn, seven Ni, and six Sn atoms. The Mn–Mn bond length is 2.70 Å. There are a spread of Mn–Ni bond distances ranging from 2.65–2.68 Å. There are three shorter (2.99 Å) and three longer (3.01 Å) Mn–Sn bond lengths. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four Mn, six Ni, and four Sn atoms. There are three shorter (2.99 Å) and three longer (3.02 Å) Mn–Ni bond lengths. There are one shorter (2.67 Å) and three longer (2.69 Å) Mn–Sn bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to four Mn and four Sn atoms. All Ni–Sn bond lengths are 2.60 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to seven Mn and four Sn atoms. There are one shorter (2.66 Å) and three longer (2.69 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a 8-coordinate geometry to seven Mn and four Sn atoms. There are three shorter (2.59 Å) and one longer (2.63 Å) Ni–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to nine Mn and five Ni atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to seven Mn and seven Ni atoms.},

  doi          = {10.17188/1739138},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1739138

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