Materials Data on Ti3P by Materials Project

doi:10.17188/1205511

Title: Materials Data on Ti3P by Materials Project

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Abstract

Ti3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.52 Å) and one longer (2.56 Å) Ti–P bond lengths. In the second Ti site, Ti is bonded in a distorted see-saw-like geometry to four equivalent P atoms. There are a spread of Ti–P bond distances ranging from 2.55–2.61 Å. In the third Ti site, Ti is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Ti–P bond distances ranging from 2.48–2.63 Å. P is bonded in a 9-coordinate geometry to nine Ti atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-31214

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; Ti3P; P-Ti

OSTI Identifier:: 1205511

DOI:: https://doi.org/10.17188/1205511

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                    The Materials Project. Materials Data on Ti3P by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205511.

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                    The Materials Project. Materials Data on Ti3P by Materials Project.  United States.  doi:https://doi.org/10.17188/1205511

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                    The Materials Project. 2020.  
"Materials Data on Ti3P by Materials Project".  United States.  doi:https://doi.org/10.17188/1205511.  https://www.osti.gov/servlets/purl/1205511. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1205511,

  title        = {Materials Data on Ti3P by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.52 Å) and one longer (2.56 Å) Ti–P bond lengths. In the second Ti site, Ti is bonded in a distorted see-saw-like geometry to four equivalent P atoms. There are a spread of Ti–P bond distances ranging from 2.55–2.61 Å. In the third Ti site, Ti is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Ti–P bond distances ranging from 2.48–2.63 Å. P is bonded in a 9-coordinate geometry to nine Ti atoms.},

  doi          = {10.17188/1205511},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205511

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