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- W2082475473 abstract "Abstract Two samples with the compositions Ti 3 PD 0.42 and Ti 3 PD 0.67 have been prepared and studied by diffraction methods in order to determine the crystal structures; in particular, the location of the deuterium atoms. Neutron powder-diffraction data were collected at the R2 reactor in Studsvik, Sweden, and analysed with the Rietveld method. The final agreement factors obtained after the profile refinements were R I = 0.056, R p = 0.034 and R wp = 0.043 for Ti 3 PD 0.42 and R I = 0.057, R p = 0.033 and R wp = 0.042 for Ti 3 PD 0.67 . The crystal structure of Ti 3 P is tetragonal, space group P 4 2 / n (No. 86), with unit cell dimensions a = 9.9640(5) A , c = 4.9887(4) A and Z = 8. The TiP host lattice remains essentially unchanged, except for some moderate expansion, upon deuterium absorption within the concentration range investigated in this study. The unit cell volume expansions are 1.2% and 1.9%, respectively. Two different kinds of tetrahedral Ti 4 interstices were found to accommodate the deuterium atoms. The shortest DD, DTi and DP distances were calculated to be 1.92, 1.82 and 2.61 A, respectively." @default.
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- W2082475473 date "1991-08-01" @default.
- W2082475473 modified "2023-10-15" @default.
- W2082475473 title "Neutron diffraction studies of deuterated Ti3P" @default.
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- W2082475473 doi "https://doi.org/10.1016/0022-5088(91)90449-e" @default.
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