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DOE OSTI · 1205511

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.

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36 MATERIALS SCIENCEcrystal structureP-TiTi3P

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2020-07-20. Materials Data on Ti3P by Materials Project. https://doi.org/10.17188/1205511

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