1 / 10

Indexing

Indexing. Indexing Q hkl = h 2 a* 2 + k 2 c* 2 + l 2 c* 2 + 2hka*b* cos gamma* + 2klb*c* cos alpha* + 2hlc*a* cos beta* = (1/d hkl ) 2. Q 100 Q 010 Q 001. Choose first three reflections as basis vectors. Q 200. Q 300. Indexing Ito's method example - Q values given

scottcox
Download Presentation

Indexing

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript


  1. Indexing

  2. Indexing Qhkl = h2a*2 + k2c*2 + l2c*2 + 2hka*b* cos gamma* + 2klb*c* cos alpha* + 2hlc*a* cos beta* = (1/dhkl)2

  3. Q100 Q010 Q001 Choose first three reflections as basis vectors Q200 Q300 • Indexing • Ito's method example - Q values given • 0.0310 0.3429 • 0.0457 0.3322 • 0.0730 0.3364 • 0.0769 0.3428 • 0.1165 0.3451 • 0.1187 0.3505 • 0.1239 0.3664 • 0.1649 0.3723 • 0.1699 0.3824 • 0.1816 0.4016 • 0.1957 0.4083 • 0.2077 0.4432 • 0.2123 0.4450 • 0.2386 0.4498 • 0.2436 0.4608 • 0.2517 0.4659 • 0.2563 0.4768 • 0.2793 0.4863 • 0.2884 0.4918 • 0.3065 0.4938 • 0.5376 Q100 = a*2 = 0.0310 a* = 0.1761

  4. Q100 Q010 Q001 Choose first three reflections as basis vectors Q020 Q030 • Indexing • Ito's method example - Q values given • 0.0310 0.3429 • 0.0457 0.3322 • 0.0730 0.3364 • 0.0769 0.3428 • 0.1165 0.3451 • 0.1187 0.3505 • 0.1239 0.3664 • 0.1649 0.3723 • 0.1699 0.3824 • 0.1816 0.4016 • 0.1957 0.4083 • 0.2077 0.4432 • 0.2123 0.4450 • 0.2386 0.4498 • 0.2436 0.4608 • 0.2517 0.4659 • 0.2563 0.4768 • 0.2793 0.4863 • 0.2884 0.4918 • 0.3065 0.4938 • 0.5376 Q100 = a*2 = 0.0310 a* = 0.1761 Q010 = b*2 = 0.0454 b* = 0.2131

  5. Q100 Q010 Q001 Choose first three reflections as basis vectors Q002 • Indexing • Ito's method example - Q values given • 0.0310 0.3429 • 0.0457 0.3322 • 0.0730 0.3364 • 0.0769 0.3428 • 0.1165 0.3451 • 0.1187 0.3505 • 0.1239 0.3664 • 0.1649 0.3723 • 0.1699 0.3824 • 0.1816 0.4016 • 0.1957 0.4083 • 0.2077 0.4432 • 0.2123 0.4450 • 0.2386 0.4498 • 0.2436 0.4608 • 0.2517 0.4659 • 0.2563 0.4768 • 0.2793 0.4863 • 0.2884 0.4918 • 0.3065 0.4938 • 0.5376 Q100 = a*2 = 0.0310 a* = 0.1761 Q010 = b*2 = 0.0454 b* = 0.2131 Q001 = c*2 = 0.0721 c* = 0.2685

  6. Q100 Q010 Q001 Q110 Q120 Q002 Q020 Q200 Q300 Q210 Q110 = 0.0310 + 0.0454 = 0.0764 Q030 Q120 = 0.0310 + 0.1816 = 0.2126 Q210 = 0.1240 + 0.0454 = 0.2126 • Indexing • Ito's method example - Q values given • 0.0310 0.3429 • 0.0457 0.3322 • 0.0730 0.3364 • 0.0769 0.3428 • 0.1165 0.3451 • 0.1187 0.3505 • 0.1239 0.3664 • 0.1649 0.3723 • 0.1699 0.3824 • 0.1816 0.4016 • 0.1957 0.4083 • 0.2077 0.4432 • 0.2123 0.4450 • 0.2386 0.4498 • 0.2436 0.4608 • 0.2517 0.4659 • 0.2563 0.4768 • 0.2793 0.4863 • 0.2884 0.4918 • 0.3065 0.4938 • 0.5376 Qhkl = h2a*2 + k2c*2 + l2c*2 + 2hka*b* cos gamma* + 2klb*c* cos alpha* + 2hlc*a* cos beta* gamma* = 90°

  7. Q100 Q010 Q001 Q110 Q120 Q002 Q020 Q200 Q300 Q210 But Q011 = 0.0454 + 0.0721 = 0.1175 doesn't quite work Q030 Q0kl = k2Q010+ l2Q001 + 2klb*c* cos alpha* Q0kl = k2Q010+ l2Q001 - 2klb*c* cos alpha* • Indexing • Ito's method example - Q values given • 0.0310 0.3429 • 0.0457 0.3322 • 0.0730 0.3364 • 0.0769 0.3428 • 0.1165 0.3451 • 0.1187 0.3505 • 0.1239 0.3664 • 0.1649 0.3723 • 0.1699 0.3824 • 0.1816 0.4016 • 0.1957 0.4083 • 0.2077 0.4432 • 0.2123 0.4450 • 0.2386 0.4498 • 0.2436 0.4608 • 0.2517 0.4659 • 0.2563 0.4768 • 0.2793 0.4863 • 0.2884 0.4918 • 0.3065 0.4938 • 0.5376 Qhkl = h2a*2 + k2c*2 + l2c*2 + 2hka*b* cos gamma* + 2klb*c* cos alpha* + 2hlc*a* cos beta*

  8. Q100 Q010 Q001 Q0kl = k2Q010+ l2Q001 ave. of Q0kl & Q0kl Q0kl = Q0kl - 2klb*c* cos alpha* Q110 Q120 Q002 Q020 Q200 Q300 Q210 Q011 Q011 Q030 Q011 = 0.1176 Q011 =0.1187 & Q011 = 0.1165 alpha* = 89.5° • Indexing • Ito's method example - Q values given • 0.0310 0.3429 • 0.0457 0.3322 • 0.0730 0.3364 • 0.0769 0.3428 • 0.1165 0.3451 • 0.1187 0.3505 • 0.1239 0.3664 • 0.1649 0.3723 • 0.1699 0.3824 • 0.1816 0.4016 • 0.1957 0.4083 • 0.2077 0.4432 • 0.2123 0.4450 • 0.2386 0.4498 • 0.2436 0.4608 • 0.2517 0.4659 • 0.2563 0.4768 • 0.2793 0.4863 • 0.2884 0.4918 • 0.3065 0.4938 • 0.5376 But Q011 = 0.0454 + 0.0721 = 0.1175 doesn't quite work

  9. Q102 Q011 Q300 Q020 Q002 Q210 Q110 Q200 Q120 Q102 = 0.3198 Q102 =0.4432 & Q102 = 0.1957 beta* = 47.9° Q102 Q030 • Indexing • Ito's method example - Q values given • 0.0310 0.3429 • 0.0457 0.3322 • 0.0730 0.3364 • 0.0769 0.3428 • 0.1165 0.3451 • 0.1187 0.3505 • 0.1239 0.3664 • 0.1649 0.3723 • 0.1699 0.3824 • 0.1816 0.4016 • 0.1957 0.4083 • 0.2077 0.4432 • 0.2123 0.4450 • 0.2386 0.4498 • 0.2436 0.4608 • 0.2517 0.4659 • 0.2563 0.4768 • 0.2793 0.4863 • 0.2884 0.4918 • 0.3065 0.4938 • 0.5376 Q100 Q010 Q001 Q101 = 0.0310 + 0.0722 = 0.1032 Q102 = 0.0310 + 4*0.0722 = 0.3198 a* = 0.1761 b* = 0.2131 c* = 0.2685 alpha* = 89.5° beta* = 49.0° gamma* = 90°

  10. Some SST values for indexing problem (sin (theta))2 = WL2/4*Q wavelength = 1.540593 Å

More Related