Materials Data on TiFeP by Materials Project

doi:10.17188/1738361

Title: Materials Data on TiFeP by Materials Project

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Abstract

FeTiP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Fe and five equivalent P atoms. There are a spread of Ti–Fe bond distances ranging from 2.69–2.81 Å. There are three shorter (2.56 Å) and two longer (2.57 Å) Ti–P bond lengths. Fe is bonded to six equivalent Ti and four equivalent P atoms to form a mixture of distorted edge, face, and corner-sharing FeTi6P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.24–2.29 Å. P is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1101870

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; TiFeP; Fe-P-Ti

OSTI Identifier:: 1738361

DOI:: https://doi.org/10.17188/1738361

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                    The Materials Project. Materials Data on TiFeP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738361.

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                    The Materials Project. Materials Data on TiFeP by Materials Project.  United States.  doi:https://doi.org/10.17188/1738361

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                    The Materials Project. 2020.  
"Materials Data on TiFeP by Materials Project".  United States.  doi:https://doi.org/10.17188/1738361.  https://www.osti.gov/servlets/purl/1738361. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1738361,

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

  author       = {The Materials Project},

  abstractNote = {FeTiP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Fe and five equivalent P atoms. There are a spread of Ti–Fe bond distances ranging from 2.69–2.81 Å. There are three shorter (2.56 Å) and two longer (2.57 Å) Ti–P bond lengths. Fe is bonded to six equivalent Ti and four equivalent P atoms to form a mixture of distorted edge, face, and corner-sharing FeTi6P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.24–2.29 Å. P is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Fe atoms.},

  doi          = {10.17188/1738361},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738361

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