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DOE OSTI · 1188085

Materials Data on TiCrP by Materials Project

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Abstract

TiCrP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Cr and five P atoms. There are two shorter (2.72 Å) and four longer (2.79 Å) Ti–Cr bond lengths. There are four shorter (2.53 Å) and one longer (2.60 Å) Ti–P bond lengths. Cr is bonded in a 4-coordinate geometry to six equivalent Ti and four P atoms. There are two shorter (2.30 Å) and two longer (2.43 Å) Cr–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 Cr atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Cr atoms.

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36 MATERIALS SCIENCECr-P-Ticrystal structureTiCrP

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2020-07-16. Materials Data on TiCrP by Materials Project. https://doi.org/10.17188/1188085

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