Materials Data on TiMnSb by Materials Project

doi:10.17188/1695185

Title: Materials Data on TiMnSb by Materials Project

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Abstract

TiMnSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti, six equivalent Mn, and six equivalent Sb atoms. Both Ti–Ti bond lengths are 2.82 Å. All Ti–Mn bond lengths are 2.99 Å. All Ti–Sb bond lengths are 2.99 Å. Mn is bonded to six equivalent Ti and five equivalent Sb atoms to form a mixture of distorted face and corner-sharing MnTi6Sb5 trigonal bipyramids. There are three shorter (2.64 Å) and two longer (2.82 Å) Mn–Sb bond lengths. Sb is bonded in a 11-coordinate geometry to six equivalent Ti and five equivalent Mn atoms.

Authors:: The Materials Project

Publication Date:: 2020-06-04

Other Number(s):: mp-1216728

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; TiMnSb; Mn-Sb-Ti

OSTI Identifier:: 1695185

DOI:: https://doi.org/10.17188/1695185

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                    The Materials Project. Materials Data on TiMnSb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695185.

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                    The Materials Project. Materials Data on TiMnSb by Materials Project.  United States.  doi:https://doi.org/10.17188/1695185

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                    The Materials Project. 2020.  
"Materials Data on TiMnSb by Materials Project".  United States.  doi:https://doi.org/10.17188/1695185.  https://www.osti.gov/servlets/purl/1695185. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1695185,

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

  author       = {The Materials Project},

  abstractNote = {TiMnSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti, six equivalent Mn, and six equivalent Sb atoms. Both Ti–Ti bond lengths are 2.82 Å. All Ti–Mn bond lengths are 2.99 Å. All Ti–Sb bond lengths are 2.99 Å. Mn is bonded to six equivalent Ti and five equivalent Sb atoms to form a mixture of distorted face and corner-sharing MnTi6Sb5 trigonal bipyramids. There are three shorter (2.64 Å) and two longer (2.82 Å) Mn–Sb bond lengths. Sb is bonded in a 11-coordinate geometry to six equivalent Ti and five equivalent Mn atoms.},

  doi          = {10.17188/1695185},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1695185

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