Materials Data on Sn2Mo by Materials Project

doi:10.17188/1204476

Title: Materials Data on Sn2Mo by Materials Project

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Abstract

MoSn2 is Khatyrkite-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to two equivalent Mo and eight Sn atoms. Both Mo–Mo bond lengths are 2.77 Å. There are four shorter (2.88 Å) and four longer (2.92 Å) Mo–Sn bond lengths. In the second Mo site, Mo is bonded in a 10-coordinate geometry to two equivalent Mo and eight Sn atoms. There are four shorter (2.87 Å) and four longer (2.92 Å) Mo–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to four Mo and one Sn atom. The Sn–Sn bond length is 2.96 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four Mo atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-30047

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; Sn2Mo; Mo-Sn

OSTI Identifier:: 1204476

DOI:: https://doi.org/10.17188/1204476

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                    The Materials Project. Materials Data on Sn2Mo by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204476.

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                    The Materials Project. Materials Data on Sn2Mo by Materials Project.  United States.  doi:https://doi.org/10.17188/1204476

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                    The Materials Project. 2020.  
"Materials Data on Sn2Mo by Materials Project".  United States.  doi:https://doi.org/10.17188/1204476.  https://www.osti.gov/servlets/purl/1204476. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1204476,

  title        = {Materials Data on Sn2Mo by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoSn2 is Khatyrkite-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to two equivalent Mo and eight Sn atoms. Both Mo–Mo bond lengths are 2.77 Å. There are four shorter (2.88 Å) and four longer (2.92 Å) Mo–Sn bond lengths. In the second Mo site, Mo is bonded in a 10-coordinate geometry to two equivalent Mo and eight Sn atoms. There are four shorter (2.87 Å) and four longer (2.92 Å) Mo–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to four Mo and one Sn atom. The Sn–Sn bond length is 2.96 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four Mo atoms.},

  doi          = {10.17188/1204476},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204476

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