Materials Data on TiMnP by Materials Project

doi:10.17188/1652537

Title: Materials Data on TiMnP by Materials Project

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Abstract

TiMnP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.52 Å) and one longer (2.55 Å) Ti–P bond lengths. Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.38 Å) Mn–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Mn atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1206854

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; TiMnP; Mn-P-Ti

OSTI Identifier:: 1652537

DOI:: https://doi.org/10.17188/1652537

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                    The Materials Project. Materials Data on TiMnP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652537.

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                    The Materials Project. Materials Data on TiMnP by Materials Project.  United States.  doi:https://doi.org/10.17188/1652537

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                    The Materials Project. 2020.  
"Materials Data on TiMnP by Materials Project".  United States.  doi:https://doi.org/10.17188/1652537.  https://www.osti.gov/servlets/purl/1652537. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1652537,

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

  author       = {The Materials Project},

  abstractNote = {TiMnP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.52 Å) and one longer (2.55 Å) Ti–P bond lengths. Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.38 Å) Mn–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Mn atoms.},

  doi          = {10.17188/1652537},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1652537

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