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Acta Crystallogr A. 2003 Mar;59(Pt 2):117-26. Epub 2003 Feb 26.

Structure of Ti2P solved by three-dimensional electron diffraction data collected with the precession technique and high-resolution electron microscopy.

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Structural Chemistry, Stockholm University, SE-106 91 Stockholm, Sweden.


The crystal structure of Ti(2)P has been analysed using electron diffraction and high-resolution electron-microscopy techniques. A new unit cell was found, the compound is hexagonal with a = 19.969 (1) and c = 3.4589 (1) A. The structure was first solved in space group P-62m in projection using direct methods on electron diffraction data from the [001] zone axis. A three-dimensional solution was obtained using again direct methods but on a three-dimensional set of electron diffraction data recorded with the precession technique. Ti(2)P is a distorted Fe(2)P structure and, based on high-resolution images, it is possible to explain that the tripling of the unit cell is due to the ordering of P vacancies that reduces the symmetry to P-6.

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