Lecture23-XRD-AnalysisOfXRDSpectraIII

Lecture23-XRD-AnalysisOfXRDSpectraIII - EMSE 312 –...

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Unformatted text preview: EMSE 312 – Diffraction Principles Lecture 23 Powder X-ray Diffraction (XRD) Techniques Analysis of XRD Spectra: Indexing of XRD Patterns Sources of Errors Precise Lattice Parameter Measurements EMSE 312 DIFFRACTION PRINCIPLES EMSE 312 – Diffraction Principles Diffraction Techniques - XRD • Examples of Indexing and Determining Structures BaF 2 Cubic 2 θ I/Io d(Å) sin 2 ( θ ) s1/sj s h 2 +k 2 +l 2 a(Å) h k l 24.85 100 3.5790 0.0463 3.00 3.00 6.199 1 1 1 28.76 30 3.1000 0.0617 0.750 4.00 4.00 6.200 2 41.11 79 2.1930 0.1233 0.375 7.99 8.00 6.203 2 2 48.63 51 1.8700 0.1696 0.273 10.99 11.00 6.202 3 1 1 50.96 3 1.7900 0.1850 0.250 11.99 12.00 6.201 2 2 2 59.57 6 1.5500 0.2468 0.188 15.99 16.00 6.200 4 65.52 13 1.4230 0.2928 0.158 18.98 19.00 6.203 3 3 1 67.50 6 1.3860 0.3086 0.150 20.00 20.00 6.198 4 2 74.92 14 1.2660 0.3699 0.125 23.98 24.00 6.202 4 2 2 80.37 6 1.1933 0.4164 0.111 26.99 27.00 6.201 5 1 1 89.27 2 1.0959 0.4937 0.094 32.00 32.00 6.199 4 4 94.56 6 1.0481 0.5397 0.086 34.98 35.00 6.201 5 3 1 96.36 1 1.0332 0.5554 0.083 36.00 36.00 6.199 6 103.53 2 0.9803 0.6170 0.075 39.99 40.00 6.200 6 2 109.05 1 0.9455 0.6632 0.070 42.99 43.00 6.200 5 3 3 110.93 3 0.9347 0.6786 0.068 43.98 44.00 6.200 6 2 2 118.75 1 0.8948 0.7405 0.063 47.99 48.00 6.199 4 4 4 EMSE 312 – Diffraction Principles Diffraction Techniques - XRD • Examples of Indexing and Determining Structures Mo Cubic 2 θ I/Io d(Å) sin 2 ( θ ) s 1 /s j s h 2 +k 2 +l 2 a(Å) h k l 40.02 100 2.2500 0.1171 2.00 2.00 3.182 1 1 58.58 30 1.5740 0.2393 0.489 4.09 4.00 3.148 2 73.63 79 1.2850 0.3591 0.326 6.13 6.00 3.148 2 1 1 87.58 51 1.1127 0.4789 0.245 8.18 8.00 3.147 2 2 101.38 3 0.9952 0.5986 0.196 10.22 10.00 3.147 3 1 115.89 6 0.9085 0.7183 0.163 12.27 12.00 3.147 2 2 2 132.54 13 0.8411 0.8381 0.140 14.31 14.00 3.147 3 2 1 EMSE 312 – Diffraction Principles 2 θ I/Io d(Å) sin 2 ( θ ) s 1 /s j s h 2 +k 2 +l 2 a or c(Å) h k l 22.03 12 4.0300 0.0365 1.00 1.00 4.030 1 22.25 25 3.9900 0.0372 0.980 1.02 1.00 3.990 1 31.49 100 2.8380 0.0736 0.496 2.02 2.00 1 1 31.63 2.8250 0.0743 0.491 2.04 2.00 1 1 38.87 46 2.3140 0.1107 0.330 3.03 3.00 1 1 1 44.84 12 2.0190 0.1454 0.251 3.98 4.00 4.038 2 45.36 37 1.9970 0.1487 0.246 4.07 4.00 3.994 2 50.59 6 1.8020 0.1826 0.200 5.00 5.00 1 2 50.95 8 1.7901 0.1850 0.197 5.07 5.00 2 1 51.08 7 1.7860 0.1859 0.196 5.09 5.00 2 1 55.93 15 1.6420 0.2199 0.166 6.02 6.00 1 1 2 56.23 35 1.6340 0.2221 0.164 6.08 6.00 2 1 1 65.7365....
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This note was uploaded on 12/01/2011 for the course EMSE 312 taught by Professor Lagerlof,p during the Spring '08 term at Case Western.

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Lecture23-XRD-AnalysisOfXRDSpectraIII - EMSE 312 –...

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