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# file name: lut-cxif5315-r0169-2015-10-23T16:03:06.txt
# Triclinic crystal cell parameters:
# a = 18.36 A
# b = 26.65 A
# c = 4.81 A
# alpha = 90.00 deg
# beta = 90.00 deg
# gamma = 102.83 deg
# 3-d space primitive vectors:
# a1 = (18.36, 0.0, 0.0)
# a2 = (5.917873795354449, 25.984635262829016, 0.0)
# a3 = (0.0, 0.0, 4.81)
# reciprocal space primitive vectors:
# b1 = [ 0.05446623 -0.01240442 0. ]
# b2 = [ 0. 0.03848428 0. ]
# b3 = [ 0. 0. 0.20790021]
# photon energy = 6003.1936 eV
# wavelength = 2.0653 A
# wave number/Evald radius k = 1/lambda = 0.484187 1/A
# sigma_q = 0.000484 1/A (approximately pixel size/sample-to-detector distance = 100um/100mm)
# 3*sigma_q = 0.001453 1/A
# _________________________________________________________________________________________ |
Data
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# beta 20.00 omega 170.50 degree # index beta omega h k l dr [1/A] R(h,k,l) qv [1/A] qh [1/A] P(omega) 1062 20.00 170.50 0 4 0 0.000595 0.153937 -0.008679 -0.153596 0.469484 # beta 20.00 omega 171.00 degree EMPTY # beta 20.00 omega 171.50 degree EMPTY # beta 20.00 omega 172.00 degree # index beta omega h k l dr [1/A] R(h,k,l) qv [1/A] qh [1/A] P(omega) 1065 20.00 172.00 0 3 0 -0.001336 0.115453 -0.005511 -0.115473 0.022208 # beta 20.00 omega 172.50 degree # index beta omega h k l dr [1/A] R(h,k,l) qv [1/A] qh [1/A] P(omega) 1066 20.00 172.50 1 -4 0 0.001294 0.175032 -0.011014 0.174446 0.028162 1066 20.00 172.50 0 3 0 -0.000396 0.115453 -0.005158 -0.115384 0.715354 |
Plots
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This image shows what we should observe for 3 values of beta (crystal axis tilt) 10, 20, and 30°. Even in wider range of angle beta we are not sensitive to crystal orientation from "radial" information only. |
Referencesq
- Crystal structure, Bravais lattice, Crystal system, Primitive cell, Lattice constant - 3-d lattice
- Reciprocal lattice, Ewald's sphere, Surface diffraction, Miller index - reciprocal space
- PDG-2014
- X-ray crystallography, Bragg's law, Fiber diffraction
- my not on units for q and reciprocal space
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