Materials Data on In(Mo3Se4)2 by Materials Project

doi:10.17188/1195643

Title: Materials Data on In(Mo3Se4)2 by Materials Project

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Abstract

In(Mo3Se4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.17+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In3+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.96 Å) and six longer (3.29 Å) In–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Mo+2.17+ and one In3+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.17+ and one In3+ atom.

Publication Date:: Wed Jul 15 04:00:00 UTC 2020

Other Number(s):: mp-20511

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; In(Mo3Se4)2; In-Mo-Se; crystal structure

OSTI Identifier:: 1195643

DOI:: https://doi.org/10.17188/1195643

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                    Materials Data on In(Mo3Se4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195643.

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                    Materials Data on In(Mo3Se4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195643

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                    2020.  
"Materials Data on In(Mo3Se4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195643.  https://www.osti.gov/servlets/purl/1195643. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1195643,

  title        = {Materials Data on In(Mo3Se4)2 by Materials Project},

  
  abstractNote = {In(Mo3Se4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.17+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In3+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.96 Å) and six longer (3.29 Å) In–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Mo+2.17+ and one In3+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.17+ and one In3+ atom.},

  doi          = {10.17188/1195643},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 04:00:00 UTC 2020},

  month        = {Wed Jul 15 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1195643

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