File: TiO2_rutile.lau

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# rutile (TiO2): 'P 42/m n m' (136) tetragonal
# a=b=4.594, c=2.959; 90 degs; Sigma_a=6.09;
#
# Physical parameters:
# sigma_abs 6.09   absorption scattering cross section (single atom) in [barn]
# lattice_a 4.594   lattice parameter a in [Angs]
# lattice_c 2.959   lattice parameter c in [Angs]
#
# Format parameters: Crystallographica format
# column_j  4 multiplicity 'j'
# column_d  5 d-spacing 'd' in [Angs]
# column_F2 7 norm of scattering factor |F|^2 in [fm^2]
# column_h 1
# column_k 2
# column_l 3
#
# h   k   l Mult. d-space 2Theta   F-squared
  1   1   0   4  3.24845  27.4335  1442.39
  1  -1   0   4  3.24845  27.4335  1442.39
 -1   1   0   4  3.24845  27.4335  1442.39
 -1  -1   0   4  3.24845  27.4335  1442.39
  1   0  -1   8  2.48764  36.0754  605.947
  0   1  -1   8  2.48764  36.0754  605.947
  0  -1   1   8  2.48764  36.0754  605.947
  0  -1  -1   8  2.48764  36.0754  605.947
 -1   0   1   8  2.48764  36.0754  605.947
 -1   0  -1   8  2.48764  36.0754  605.947
  1   0   1   8  2.48764  36.0754  605.947
  0   1   1   8  2.48764  36.0754  605.947
  2   0   0   4    2.297  39.1866   219.03
  0   2   0   4    2.297  39.1866   219.03
  0  -2   0   4    2.297  39.1866   219.03
 -2   0   0   4    2.297  39.1866   219.03
  1  -1   1   8  2.18752  41.2347  324.453
  1  -1  -1   8  2.18752  41.2347  324.453
 -1   1   1   8  2.18752  41.2347  324.453
 -1   1  -1   8  2.18752  41.2347  324.453
 -1  -1   1   8  2.18752  41.2347  324.453
 -1  -1  -1   8  2.18752  41.2347  324.453
  1   1   1   8  2.18752  41.2347  324.453
  1   1  -1   8  2.18752  41.2347  324.453
  2   1   0   8   2.0545  44.0392  134.914
  1   2   0   8   2.0545  44.0392  134.914
  1  -2   0   8   2.0545  44.0392  134.914
 -1  -2   0   8   2.0545  44.0392  134.914
 -2  -1   0   8   2.0545  44.0392  134.914
 -1   2   0   8   2.0545  44.0392  134.914
  2  -1   0   8   2.0545  44.0392  134.914
 -2   1   0   8   2.0545  44.0392  134.914
  2  -1   1  16   1.6876  54.3146  919.052
 -1   2   1  16   1.6876  54.3146  919.052
  2  -1  -1  16   1.6876  54.3146  919.052
  1  -2   1  16   1.6876  54.3146  919.052
  1  -2  -1  16   1.6876  54.3146  919.052
 -1   2  -1  16   1.6876  54.3146  919.052
 -1  -2   1  16   1.6876  54.3146  919.052
 -1  -2  -1  16   1.6876  54.3146  919.052
 -2   1   1  16   1.6876  54.3146  919.052
 -2   1  -1  16   1.6876  54.3146  919.052
 -2  -1   1  16   1.6876  54.3146  919.052
 -2  -1  -1  16   1.6876  54.3146  919.052
  2   1   1  16   1.6876  54.3146  919.052
  1   2   1  16   1.6876  54.3146  919.052
  2   1  -1  16   1.6876  54.3146  919.052
  1   2  -1  16   1.6876  54.3146  919.052
  2   2   0   4  1.62422  56.6204  1176.98
  2  -2   0   4  1.62422  56.6204  1176.98
 -2   2   0   4  1.62422  56.6204  1176.98
 -2  -2   0   4  1.62422  56.6204  1176.98
  0   0   2   2   1.4795  62.7498  1453.21
  0   0  -2   2   1.4795  62.7498  1453.21
  1  -3   0   8  1.45275  64.0409  376.193
 -1  -3   0   8  1.45275  64.0409  376.193
 -3   1   0   8  1.45275  64.0409  376.193
 -3  -1   0   8  1.45275  64.0409  376.193
  3   1   0   8  1.45275  64.0409  376.193
  3  -1   0   8  1.45275  64.0409  376.193
  1   3   0   8  1.45275  64.0409  376.193
 -1   3   0   8  1.45275  64.0409  376.193
 -2  -2   1   8  1.42383  65.5025  27.8056
 -2  -2  -1   8  1.42383  65.5025  27.8056
  2  -2   1   8  1.42383  65.5025  27.8056
 -2   2   1   8  1.42383  65.5025  27.8056
  2   2  -1   8  1.42383  65.5025  27.8056
  2  -2  -1   8  1.42383  65.5025  27.8056
 -2   2  -1   8  1.42383  65.5025  27.8056
  2   2   1   8  1.42383  65.5025  27.8056
  0  -3  -1   8     1.36  68.9964  1085.58
 -3   0  -1   8     1.36  68.9964  1085.58
  3   0   1   8     1.36  68.9964  1085.58
  3   0  -1   8     1.36  68.9964  1085.58
  0   3   1   8     1.36  68.9964  1085.58
  0   3  -1   8     1.36  68.9964  1085.58
  0  -3   1   8     1.36  68.9964  1085.58
 -3   0   1   8     1.36  68.9964  1085.58
  1   1  -2   8  1.34643  69.7923  561.926
  1  -1  -2   8  1.34643  69.7923  561.926
 -1   1  -2   8  1.34643  69.7923  561.926
 -1  -1   2   8  1.34643  69.7923  561.926
  1   1   2   8  1.34643  69.7923  561.926
 -1  -1  -2   8  1.34643  69.7923  561.926
  1  -1   2   8  1.34643  69.7923  561.925
 -1   1   2   8  1.34643  69.7923  561.925
  1  -3  -1  16  1.30406  72.4103  33.0921
 -3   1  -1  16  1.30406  72.4103  33.0921
  3   1   1  16  1.30406  72.4103  33.0921
  1   3   1  16  1.30406  72.4103  33.0921
  3   1  -1  16  1.30406  72.4103  33.0921
  3  -1   1  16  1.30406  72.4103  33.0921
  1   3  -1  16  1.30406  72.4103  33.0921
  1  -3   1  16  1.30406  72.4103  33.0921
 -1   3   1  16  1.30406  72.4103  33.0921
 -3   1   1  16  1.30406  72.4103  33.0921
  3  -1  -1  16  1.30406  72.4103   33.092
 -1   3  -1  16  1.30406  72.4103   33.092
 -1  -3   1  16  1.30406  72.4103   33.092
 -3  -1   1  16  1.30406  72.4103   33.092
 -1  -3  -1  16  1.30406  72.4103   33.092
 -3  -1  -1  16  1.30406  72.4103   33.092
 -2  -3   0   8  1.27415  74.3923  15.2588
 -3  -2   0   8  1.27415  74.3923  15.2588
  3  -2   0   8  1.27415  74.3923  15.2588
 -2   3   0   8  1.27415  74.3923  15.2588
  2  -3   0   8  1.27415  74.3923  15.2588
 -3   2   0   8  1.27415  74.3923  15.2588
  3   2   0   8  1.27415  74.3923  15.2588
  2   3   0   8  1.27415  74.3923  15.2588
  0   2   2   8  1.24382   76.528   148.38
  2   0   2   8  1.24382   76.528   148.38
  2   0  -2   8  1.24382   76.528   148.38
  0   2  -2   8  1.24382   76.528   148.38
  0  -2   2   8  1.24382   76.528   148.38
 -2   0   2   8  1.24382   76.528   148.38
  0  -2  -2   8  1.24382   76.528   148.38
 -2   0  -2   8  1.24382   76.528   148.38
  1  -2  -2  16  1.20059  79.8199  43.2222
 -2   1  -2  16  1.20059  79.8199  43.2222
  2  -1   2  16  1.20059  79.8199  43.2222
  2  -1  -2  16  1.20059  79.8199  43.2222
 -1   2   2  16  1.20059  79.8199  43.2222
 -1   2  -2  16  1.20059  79.8199  43.2222
  2   1   2  16  1.20059  79.8199  43.2222
  1   2   2  16  1.20059  79.8199  43.2222
  1  -2   2  16  1.20059  79.8199  43.2222
 -2   1   2  16  1.20059  79.8199  43.2222
  2   1  -2  16  1.20059  79.8199  43.2222
  1   2  -2  16  1.20059  79.8199  43.2222
 -1  -2   2  16  1.20059  79.8199  43.2222
 -2  -1   2  16  1.20059  79.8199  43.2222
 -1  -2  -2  16  1.20059  79.8199  43.2222
 -2  -1  -2  16  1.20059  79.8199  43.2222
  3   2   1  16  1.17026  82.3271  156.205
  2   3   1  16  1.17026  82.3271  156.205
 -2  -3   1  16  1.17026  82.3271  156.205
 -3  -2   1  16  1.17026  82.3271  156.205
  3   2  -1  16  1.17026  82.3271  156.205
  2   3  -1  16  1.17026  82.3271  156.205
 -2  -3  -1  16  1.17026  82.3271  156.205
 -3  -2  -1  16  1.17026  82.3271  156.205
  3  -2   1  16  1.17026  82.3271  156.205
 -2   3   1  16  1.17026  82.3271  156.205
  3  -2  -1  16  1.17026  82.3271  156.205
  2  -3   1  16  1.17026  82.3271  156.205
  2  -3  -1  16  1.17026  82.3271  156.205
 -2   3  -1  16  1.17026  82.3271  156.205
 -3   2   1  16  1.17026  82.3271  156.205
 -3   2  -1  16  1.17026  82.3271  156.205
  0  -4   0   4   1.1485  84.2397  434.362
 -4   0   0   4   1.1485  84.2397  434.362
  4   0   0   4   1.1485  84.2397  434.362
  0   4   0   4   1.1485  84.2397  434.362
  4  -1   0   8  1.11421  87.4701   81.492
 -1   4   0   8  1.11421  87.4701   81.492
  1  -4   0   8  1.11421  87.4701  81.4919
 -1  -4   0   8  1.11421  87.4701  81.4919
 -4   1   0   8  1.11421  87.4701  81.4919
 -4  -1   0   8  1.11421  87.4701  81.4919
  4   1   0   8  1.11421  87.4701  81.4919
  1   4   0   8  1.11421  87.4701  81.4919
  2   2   2   8  1.09376  89.5381  580.416
  2  -2  -2   8  1.09376  89.5381  580.416
 -2   2  -2   8  1.09376  89.5381  580.416
 -2  -2   2   8  1.09376  89.5381  580.416
 -2  -2  -2   8  1.09376  89.5381  580.416
  2   2  -2   8  1.09376  89.5381  580.416
  2  -2   2   8  1.09376  89.5381  580.416
 -2   2   2   8  1.09376  89.5381  580.416
  3   3   0   4  1.08282  90.6925  610.494
  3  -3   0   4  1.08282  90.6925  610.494
 -3   3   0   4  1.08282  90.6925  610.494
 -3  -3   0   4  1.08282  90.6925  610.494
  4   1   1  16  1.04273  95.2436  276.812
  1   4   1  16  1.04273  95.2436  276.812
 -1  -4   1  16  1.04273  95.2436  276.812
 -4  -1   1  16  1.04273  95.2436  276.812
  4   1  -1  16  1.04273  95.2436  276.812
  4  -1   1  16  1.04273  95.2436  276.812
  4  -1  -1  16  1.04273  95.2436  276.812
  1   4  -1  16  1.04273  95.2436  276.812
 -1   4   1  16  1.04273  95.2436  276.812
 -1   4  -1  16  1.04273  95.2436  276.812
 -1  -4  -1  16  1.04273  95.2436  276.812
 -4  -1  -1  16  1.04273  95.2436  276.812
  1  -4   1  16  1.04273  95.2436  276.812
  1  -4  -1  16  1.04273  95.2436  276.812
 -4   1   1  16  1.04273  95.2436  276.812
 -4   1  -1  16  1.04273  95.2436  276.812
 -1   3   2  16  1.03658  95.9922  223.938
  3  -1   2  16  1.03658  95.9922  223.938
  1   3  -2  16  1.03658  95.9922  223.938
 -1  -3   2  16  1.03658  95.9922  223.938
  3   1  -2  16  1.03658  95.9922  223.938
  1  -3  -2  16  1.03658  95.9922  223.938
  3   1   2  16  1.03658  95.9922  223.938
  3  -1  -2  16  1.03658  95.9922  223.938
  1   3   2  16  1.03658  95.9922  223.938
  1  -3   2  16  1.03658  95.9922  223.938
 -1   3  -2  16  1.03658  95.9922  223.938
 -3   1   2  16  1.03658  95.9922  223.938
 -3  -1   2  16  1.03658  95.9922  223.938
 -1  -3  -2  16  1.03658  95.9922  223.938
 -3   1  -2  16  1.03658  95.9922  223.938
 -3  -1  -2  16  1.03658  95.9922  223.938
  2  -4   0   8  1.02725  97.1543  251.605
 -2  -4   0   8  1.02725  97.1543  251.605
 -4   2   0   8  1.02725  97.1543  251.605
 -4  -2   0   8  1.02725  97.1543  251.605
  4   2   0   8  1.02725  97.1543  251.605
  4  -2   0   8  1.02725  97.1543  251.605
  2   4   0   8  1.02725  97.1543  251.605
 -2   4   0   8  1.02725  97.1543  251.605
 -3  -3  -1   8  1.01687  98.4889  4.09142
 -3  -3   1   8  1.01687  98.4889  4.09142
 -3   3   1   8  1.01687  98.4889  4.09141
  3  -3   1   8  1.01687  98.4889  4.09141
  3  -3  -1   8  1.01687  98.4889  4.09141
 -3   3  -1   8  1.01687  98.4889  4.09141
  3   3  -1   8  1.01687  98.4889  4.09141
  3   3   1   8  1.01687  98.4889  4.09141
  4   2   1  16 0.970434  105.074  26.3369
  2   4   1  16 0.970434  105.074  26.3369
  2  -4  -1  16 0.970434  105.074  26.3369
 -4   2  -1  16 0.970434  105.074  26.3369
  4   2  -1  16 0.970434  105.074  26.3369
  2   4  -1  16 0.970434  105.074  26.3369
  4  -2   1  16 0.970434  105.074  26.3369
  2  -4   1  16 0.970434  105.074  26.3369
 -2   4   1  16 0.970434  105.074  26.3369
 -4   2   1  16 0.970434  105.074  26.3369
  4  -2  -1  16 0.970434  105.074  26.3369
 -2   4  -1  16 0.970434  105.074  26.3369
 -2  -4   1  16 0.970434  105.074  26.3369
 -2  -4  -1  16 0.970434  105.074  26.3369
 -4  -2   1  16 0.970434  105.074  26.3369
 -4  -2  -1  16 0.970434  105.074  26.3369
 -2  -3  -2  16 0.965466  105.847  7.63831
 -3  -2   2  16 0.965466  105.847  7.63831
 -3  -2  -2  16 0.965466  105.847  7.63831
 -2  -3   2  16 0.965466  105.847  7.63831
  3  -2   2  16 0.965466  105.847  7.63831
 -2   3   2  16 0.965466  105.847  7.63831
  3   2  -2  16 0.965466  105.847  7.63831
  2  -3   2  16 0.965466  105.847  7.63831
 -3   2   2  16 0.965466  105.847  7.63831
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