# Aspirinanhydride: 'P 41 21 2' (92) tetragonal # a=b=8.457, c=23.166; 90 deg; # # 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 [barn] # # h k l Mult. d-space 2Theta F-squared 0 1 1 8 7.94419 11.1284 3959.16 -1 0 1 8 7.94419 11.1284 3959.15 0 -1 -1 8 7.94419 11.1284 3959.15 1 0 -1 8 7.94419 11.1284 3959.15 1 0 1 8 7.94419 11.1284 3959.15 0 -1 1 8 7.94419 11.1284 3959.15 -1 0 -1 8 7.94419 11.1284 3959.15 0 1 -1 8 7.94419 11.1284 3959.15 -1 0 -2 8 6.83021 12.9507 0.805284 1 0 2 8 6.83021 12.9507 0.805284 0 1 -2 8 6.83021 12.9507 0.805266 0 -1 2 8 6.83021 12.9507 0.805266 1 0 -2 8 6.83021 12.9507 0.805243 -1 0 2 8 6.83021 12.9507 0.805243 0 -1 -2 8 6.83021 12.9507 0.805204 0 1 2 8 6.83021 12.9507 0.8052 1 1 0 4 5.98 14.8016 19072.5 1 -1 0 4 5.98 14.8016 19072.5 -1 1 0 4 5.98 14.8016 19072.5 -1 -1 0 4 5.98 14.8016 19072.5 0 0 4 2 5.7915 15.2862 1437.3 0 0 -4 2 5.7915 15.2862 1437.3 1 -1 -1 8 5.7902 15.2896 1652.12 1 1 -1 8 5.7902 15.2896 1652.12 -1 -1 1 8 5.7902 15.2896 1652.12 -1 1 1 8 5.7902 15.2896 1652.12 1 1 1 8 5.7902 15.2896 1652.12 -1 -1 -1 8 5.7902 15.2896 1652.12 1 -1 1 8 5.7902 15.2896 1652.11 -1 1 -1 8 5.7902 15.2896 1652.11 0 1 -3 8 5.70245 15.5263 168.659 0 -1 3 8 5.70245 15.5263 168.659 1 0 3 8 5.70245 15.5263 168.659 -1 0 -3 8 5.70245 15.5263 168.659 -1 0 3 8 5.70245 15.5263 168.659 1 0 -3 8 5.70245 15.5263 168.659 0 -1 -3 8 5.70245 15.5263 168.658 0 1 3 8 5.70245 15.5263 168.658 -1 1 -2 8 5.31364 16.6702 5.87272 1 1 -2 8 5.31364 16.6702 5.87272 -1 -1 2 8 5.31364 16.6702 5.87272 1 -1 2 8 5.31364 16.6702 5.87272 1 1 2 8 5.31364 16.6702 5.87269 -1 -1 -2 8 5.31364 16.6702 5.87269 -1 1 2 8 5.31364 16.6702 5.87263 1 -1 -2 8 5.31364 16.6702 5.87263 0 1 -4 8 4.77842 18.5531 6019.46 0 -1 4 8 4.77842 18.5531 6019.46 1 0 4 8 4.77842 18.5531 6019.45 1 0 -4 8 4.77842 18.5531 6019.45 -1 0 4 8 4.77842 18.5531 6019.45 -1 0 -4 8 4.77842 18.5531 6019.45 0 1 4 8 4.77842 18.5531 6019.45 0 -1 -4 8 4.77842 18.5531 6019.45 1 1 -3 8 4.72803 18.7526 3417.13 -1 -1 3 8 4.72803 18.7526 3417.13 1 -1 3 8 4.72803 18.7526 3417.13 -1 1 -3 8 4.72803 18.7526 3417.13 1 1 3 8 4.72803 18.7526 3417.13 1 -1 -3 8 4.72803 18.7526 3417.13 -1 1 3 8 4.72803 18.7526 3417.13 -1 -1 -3 8 4.72803 18.7526 3417.13 0 2 0 4 4.2285 20.9917 1577.11 0 -2 0 4 4.2285 20.9917 1577.11 2 0 0 4 4.2285 20.9917 1577.11 -2 0 0 4 4.2285 20.9917 1577.11 1 -1 -4 8 4.16025 21.34 11945.5 -1 1 4 8 4.16025 21.34 11945.5 1 1 4 8 4.16025 21.34 11945.5 -1 -1 -4 8 4.16025 21.34 11945.5 1 1 -4 8 4.16025 21.34 11945.5 1 -1 4 8 4.16025 21.34 11945.5 -1 1 -4 8 4.16025 21.34 11945.5 -1 -1 4 8 4.16025 21.34 11945.5 -2 0 1 8 4.15977 21.3425 519.536 2 0 -1 8 4.15977 21.3425 519.536 0 2 1 8 4.15977 21.3425 519.536 0 -2 -1 8 4.15977 21.3425 519.536 0 2 -1 8 4.15977 21.3425 519.536 0 -2 1 8 4.15977 21.3425 519.536 2 0 1 8 4.15977 21.3425 519.535 -2 0 -1 8 4.15977 21.3425 519.535 0 -1 5 8 4.06336 21.8551 12184.1 1 0 5 8 4.06336 21.8551 12184.1 1 0 -5 8 4.06336 21.8551 12184.1 0 1 -5 8 4.06336 21.8551 12184.1 -1 0 5 8 4.06336 21.8551 12184.1 -1 0 -5 8 4.06336 21.8551 12184.1 0 1 5 8 4.06336 21.8551 12184.1 0 -1 -5 8 4.06336 21.8551 12184.1 -2 0 -2 8 3.9721 22.3636 27.9368 2 0 2 8 3.9721 22.3636 27.9368 0 2 -2 8 3.9721 22.3636 27.9368 0 -2 2 8 3.9721 22.3636 27.9368 -2 0 2 8 3.9721 22.3636 27.9367 2 0 -2 8 3.9721 22.3636 27.9367 0 2 2 8 3.9721 22.3636 27.9365 0 -2 -2 8 3.9721 22.3636 27.9365 2 -1 0 8 3.78209 23.5028 1896.79 -2 1 0 8 3.78209 23.5028 1896.79 1 -2 0 8 3.78209 23.5028 1896.79 -1 2 0 8 3.78209 23.5028 1896.79 2 1 0 8 3.78209 23.5028 1896.79 1 2 0 8 3.78209 23.5028 1896.79 -1 -2 0 8 3.78209 23.5028 1896.79 -2 -1 0 8 3.78209 23.5028 1896.79 1 2 -1 8 3.73267 23.8185 1167.68 2 1 1 8 3.73267 23.8185 1167.68 2 -1 -1 8 3.73267 23.8185 1167.68 -2 1 -1 8 3.73267 23.8185 1167.68 1 -2 1 8 3.73267 23.8185 1167.68 -1 2 1 8 3.73267 23.8185 1167.68 -2 -1 1 8 3.73267 23.8185 1167.68 -1 -2 -1 8 3.73267 23.8185 1167.68 -1 -2 1 8 3.73267 23.8185 1166.24 -2 -1 -1 8 3.73267 23.8185 1166.24 -1 2 -1 8 3.73267 23.8185 1166.24 2 -1 1 8 3.73267 23.8185 1166.24 -2 1 1 8 3.73267 23.8185 1166.24 1 -2 -1 8 3.73267 23.8185 1166.24 2 1 -1 8 3.73267 23.8185 1166.24 1 2 1 8 3.73267 23.8185 1166.24 0 2 -3 8 3.70884 23.9737 12996.4 -2 0 -3 8 3.70884 23.9737 12996.4 0 -2 3 8 3.70884 23.9737 12996.4 2 0 -3 8 3.70884 23.9737 12996.4 2 0 3 8 3.70884 23.9737 12996.4 -2 0 3 8 3.70884 23.9737 12996.4 0 -2 -3 8 3.70884 23.9737 12996.4 0 2 3 8 3.70884 23.9737 12996.4 1 1 -5 8 3.66254 24.2814 194.288 -1 -1 5 8 3.66254 24.2814 194.288 1 -1 5 8 3.66254 24.2814 194.287 -1 1 -5 8 3.66254 24.2814 194.287 -1 1 5 8 3.66254 24.2814 194.287 1 -1 -5 8 3.66254 24.2814 194.287 1 1 5 8 3.66254 24.2814 194.287 -1 -1 -5 8 3.66254 24.2814 194.287 2 1 -2 8 3.59528 24.7428 3823.9 1 2 2 8 3.59528 24.7428 3823.9 1 -2 -2 8 3.59528 24.7428 3823.9 2 -1 2 8 3.59528 24.7428 3823.9 -1 2 -2 8 3.59528 24.7428 3823.9 -1 -2 2 8 3.59528 24.7428 3823.9 -2 1 2 8 3.59528 24.7428 3823.9 -2 -1 -2 8 3.59528 24.7428 3823.9 -1 -2 -2 8 3.59528 24.7428 3823.37 -2 -1 2 8 3.59528 24.7428 3823.37 2 -1 -2 8 3.59528 24.7428 3823.37 -1 2 2 8 3.59528 24.7428 3823.37 1 2 -2 8 3.59528 24.7428 3823.37 1 -2 2 8 3.59528 24.7428 3823.37 -2 1 -2 8 3.59528 24.7428 3823.37 2 1 2 8 3.59528 24.7428 3823.37 0 -1 -6 8 3.51227 25.3371 668.855 1 0 -6 8 3.51227 25.3371 668.855 0 1 6 8 3.51227 25.3371 668.855 -1 0 6 8 3.51227 25.3371 668.855 1 0 6 8 3.51227 25.3371 668.855 -1 0 -6 8 3.51227 25.3371 668.855 0 1 -6 8 3.51227 25.3371 668.855 0 -1 6 8 3.51227 25.3371 668.855 2 0 4 8 3.41511 26.0705 14947.5 -2 0 -4 8 3.41511 26.0705 14947.5 0 2 4 8 3.41511 26.0705 14947.5 0 -2 -4 8 3.41511 26.0705 14947.5 2 0 -4 8 3.41511 26.0705 14947.5 0 2 -4 8 3.41511 26.0705 14947.5 0 -2 4 8 3.41511 26.0705 14947.5 -2 0 4 8 3.41511 26.0705 14947.5 -1 2 -3 8 3.39657 26.2153 633.25 2 1 -3 8 3.39657 26.2153 633.25 -1 -2 3 8 3.39657 26.2153 633.25 -2 1 3 8 3.39657 26.2153 633.25 2 -1 3 8 3.39657 26.2153 633.25 1 2 3 8 3.39657 26.2153 633.25 1 -2 -3 8 3.39657 26.2153 633.25 -2 -1 -3 8 3.39657 26.2153 633.25 2 -1 -3 8 3.39657 26.2153 631.168 1 2 -3 8 3.39657 26.2153 631.168 1 -2 3 8 3.39657 26.2153 631.168 -2 -1 3 8 3.39657 26.2153 631.168 -2 1 -3 8 3.39657 26.2153 631.167 -1 -2 -3 8 3.39657 26.2153 631.167 -1 2 3 8 3.39657 26.2153 631.167 2 1 3 8 3.39657 26.2153 631.167 1 1 6 8 3.24366 27.4748 753.717 -1 -1 -6 8 3.24366 27.4748 753.717 1 1 -6 8 3.24366 27.4748 753.717 1 -1 -6 8 3.24366 27.4748 753.717 -1 1 6 8 3.24366 27.4748 753.717 -1 -1 6 8 3.24366 27.4748 753.717 1 -1 6 8 3.24366 27.4748 753.717 -1 1 -6 8 3.24366 27.4748 753.717 2 1 -4 8 3.16666 28.1565 2763.98 1 2 4 8 3.16666 28.1565 2763.98 1 -2 -4 8 3.16666 28.1565 2763.98 -1 -2 4 8 3.16666 28.1565 2763.98 2 -1 4 8 3.16666 28.1565 2763.98 -2 1 4 8 3.16666 28.1565 2763.98 -1 2 -4 8 3.16666 28.1565 2763.97 -2 -1 -4 8 3.16666 28.1565 2763.97 -1 -2 -4 8 3.16666 28.1565 2763.5 -1 2 4 8 3.16666 28.1565 2763.5 -2 -1 4 8 3.16666 28.1565 2763.5 2 -1 -4 8 3.16666 28.1565 2763.5 1 2 -4 8 3.16666 28.1565 2763.5 1 -2 4 8 3.16666 28.1565 2763.5 -2 1 -4 8 3.16666 28.1565 2763.5 2 1 4 8 3.16666 28.1565 2763.5 0 -2 -5 8 3.12329 28.5557 3287.2 0 2 5 8 3.12329 28.5557 3287.2 2 0 -5 8 3.12329 28.5557 3287.2 -2 0 5 8 3.12329 28.5557 3287.2 2 0 5 8 3.12329 28.5557 3287.2 0 2 -5 8 3.12329 28.5557 3287.2 0 -2 5 8 3.12329 28.5557 3287.2 -2 0 -5 8 3.12329 28.5557 3287.2 2 2 0 4 2.99 29.8576 163.358 -2 -2 0 4 2.99 29.8576 163.358 2 -2 0 4 2.99 29.8576 163.358 -2 2 0 4 2.99 29.8576 163.358 2 -2 1 8 2.9654 30.1111 174.68 -2 2 -1 8 2.9654 30.1111 174.68 2 2 1 8 2.9654 30.1111 174.679 2 2 -1 8 2.9654 30.1111 174.679 -2 -2 1 8 2.9654 30.1111 174.679 -2 -2 -1 8 2.9654 30.1111 174.679 2 -2 -1 8 2.9654 30.1111 174.679 -2 2 1 8 2.9654 30.1111 174.679 2 -1 5 8 2.92987 30.4851 1198.51 2 1 -5 8 2.92987 30.4851 1198.51 1 -2 -5 8 2.92987 30.4851 1198.51 1 2 5 8 2.92987 30.4851 1198.51 -2 -1 -5 8 2.92987 30.4851 1198.51 -1 -2 5 8 2.92987 30.4851 1198.51 -2 1 5 8 2.92987 30.4851 1198.51 -1 2 -5 8 2.92987 30.4851 1198.51 -2 1 -5 8 2.92987 30.4851 1193.53 -2 -1 5 8 2.92987 30.4851 1193.53 -1 2 5 8 2.92987 30.4851 1193.53 2 1 5 8 2.92987 30.4851 1193.53 -1 -2 -5 8 2.92987 30.4851 1193.53 2 -1 -5 8 2.92987 30.4851 1193.53 1 2 -5 8 2.92987 30.4851 1193.53 1 -2 5 8 2.92987 30.4851 1193.53 2 2 2 8 2.8951 30.8603 2.05942 2 -2 -2 8 2.8951 30.8603 2.05941 -2 2 2 8 2.8951 30.8603 2.05941 -2 -2 -2 8 2.8951 30.8603 2.05941 2 -2 2 8 2.8951 30.8603 2.0594 2 2 -2 8 2.8951 30.8603 2.0594 -2 -2 2 8 2.8951 30.8603 2.0594 -2 2 -2 8 2.8951 30.8603 2.05939 0 -2 6 8 2.85123 31.3473 48.4796 0 2 -6 8 2.85123 31.3473 48.4796 -2 0 -6 8 2.85123 31.3473 48.4796 2 0 6 8 2.85123 31.3473 48.4796 -2 0 6 8 2.85123 31.3473 48.4794 2 0 -6 8 2.85123 31.3473 48.4794 0 2 6 8 2.85123 31.3473 48.4792 0 -2 -6 8 2.85123 31.3473 48.4792 0 3 -1 8 2.79836 31.9552 389.473 0 -3 -1 8 2.79836 31.9552 389.473 -3 0 1 8 2.79836 31.9552 389.473 3 0 -1 8 2.79836 31.9552 389.473 0 3 1 8 2.79836 31.9552 389.473 -3 0 -1 8 2.79836 31.9552 389.473 0 -3 1 8 2.79836 31.9552 389.473 3 0 1 8 2.79836 31.9552 389.473 2 2 -3 8 2.78828 32.0738 3209.87 2 -2 3 8 2.78828 32.0738 3209.87 -2 2 -3 8 2.78828 32.0738 3209.87 -2 -2 3 8 2.78828 32.0738 3209.87 2 -2 -3 8 2.78828 32.0738 3209.87 -2 2 3 8 2.78828 32.0738 3209.87 2 2 3 8 2.78828 32.0738 3209.87 -2 -2 -3 8 2.78828 32.0738 3209.87 3 0 2 8 2.73905 32.6663 2131.41 3 0 -2 8 2.73905 32.6663 2131.41 0 3 2 8 2.73905 32.6663 2131.41 0 3 -2 8 2.73905 32.6663 2131.41 0 -3 2 8 2.73905 32.6663 2131.41 0 -3 -2 8 2.73905 32.6663 2131.41 -3 0 2 8 2.73905 32.6663 2131.41 -3 0 -2 8 2.73905 32.6663 2131.41 2 1 6 8 2.70181 33.1294 1423.13 -2 1 -6 8 2.70181 33.1294 1423.13 1 -2 6 8 2.70181 33.1294 1423.13 2 -1 -6 8 2.70181 33.1294 1423.13 -2 -1 6 8 2.70181 33.1294 1423.13 1 2 -6 8 2.70181 33.1294 1423.12 -1 2 6 8 2.70181 33.1294 1423.12 -1 -2 -6 8 2.70181 33.1294 1423.12 2 -1 6 8 2.70181 33.1294 1421.13 -2 -1 -6 8 2.70181 33.1294 1421.13 2 1 -6 8 2.70181 33.1294 1421.13 -1 2 -6 8 2.70181 33.1294 1421.13 -2 1 6 8 2.70181 33.1294 1421.13 -1 -2 6 8 2.70181 33.1294 1421.13 1 2 6 8 2.70181 33.1294 1421.13 1 -2 -6 8 2.70181 33.1294 1421.13 1 3 0 8 2.67434 33.4797 77.339 -1 -3 0 8 2.67434 33.4797 77.339 3 1 0 8 2.67434 33.4797 77.339 -3 -1 0 8 2.67434 33.4797 77.339 1 -3 0 8 2.67434 33.4797 77.3389 -1 3 0 8 2.67434 33.4797 77.3389 3 -1 0 8 2.67434 33.4797 77.3388 -3 1 0 8 2.67434 33.4797 77.3388 2 2 4 8 2.65682 33.707 244.392 2 -2 -4 8 2.65682 33.707 244.392 -2 2 4 8 2.65682 33.707 244.392 -2 -2 -4 8 2.65682 33.707 244.392 2 2 -4 8 2.65682 33.707 244.392 -2 -2 4 8 2.65682 33.707 244.392 2 -2 4 8 2.65682 33.707 244.392 -2 2 -4 8 2.65682 33.707 244.392 3 -1 -1 8 2.65669 33.7086 351.812 1 3 -1 8 2.65669 33.7086 351.812 1 -3 1 8 2.65669 33.7086 351.812 -1 -3 -1 8 2.65669 33.7086 351.812 -3 -1 1 8 2.65669 33.7086 351.812 -1 3 1 8 2.65669 33.7086 351.812 3 1 1 8 2.65669 33.7086 351.812 -3 1 -1 8 2.65669 33.7086 351.812 -1 3 -1 8 2.65669 33.7086 350.636 -3 1 1 8 2.65669 33.7086 350.636 1 -3 -1 8 2.65669 33.7086 350.636 -1 -3 1 8 2.65669 33.7086 350.636 3 1 -1 8 2.65669 33.7086 350.636 1 3 1 8 2.65669 33.7086 350.636 3 -1 1 8 2.65669 33.7086 350.636 -3 -1 -1 8 2.65669 33.7086 350.636 0 3 3 8 2.64806 33.8218 2071 3 0 3 8 2.64806 33.8218 2071 3 0 -3 8 2.64806 33.8218 2071 0 3 -3 8 2.64806 33.8218 2071 0 -3 3 8 2.64806 33.8218 2071 -3 0 3 8 2.64806 33.8218 2071 -3 0 -3 8 2.64806 33.8218 2071 0 -3 -3 8 2.64806 33.8218 2071 3 1 2 8 2.60579 34.3875 1281.78 3 -1 -2 8 2.60579 34.3875 1281.78 1 3 -2 8 2.60579 34.3875 1281.78 -1 3 2 8 2.60579 34.3875 1281.78 -3 1 -2 8 2.60579 34.3875 1281.78 -1 -3 -2 8 2.60579 34.3875 1281.78 -3 -1 2 8 2.60579 34.3875 1281.78 1 -3 2 8 2.60579 34.3875 1281.78 1 -3 -2 8 2.60579 34.3875 1281.7 -1 -3 2 8 2.60579 34.3875 1281.7 -3 -1 -2 8 2.60579 34.3875 1281.7 -1 3 -2 8 2.60579 34.3875 1281.7 3 -1 2 8 2.60579 34.3875 1281.7 1 3 2 8 2.60579 34.3875 1281.7 -3 1 2 8 2.60579 34.3875 1281.7 3 1 -2 8 2.60579 34.3875 1281.7 0 3 4 8 2.53468 35.3835 395.996 0 -3 -4 8 2.53468 35.3835 395.996 3 0 4 8 2.53468 35.3835 395.996 3 0 -4 8 2.53468 35.3835 395.996 -3 0 4 8 2.53468 35.3835 395.996 -3 0 -4 8 2.53468 35.3835 395.996 0 3 -4 8 2.53468 35.3835 395.995 0 -3 4 8 2.53468 35.3835 395.995 -3 1 -3 8 2.52708 35.4935 2201.78 -3 -1 3 8 2.52708 35.4935 2201.78 1 3 -3 8 2.52708 35.4935 2201.78 1 -3 3 8 2.52708 35.4935 2201.78 -1 3 3 8 2.52708 35.4935 2201.78 3 1 3 8 2.52708 35.4935 2201.78 3 -1 -3 8 2.52708 35.4935 2201.78 -1 -3 -3 8 2.52708 35.4935 2201.78 3 -1 3 8 2.52708 35.4935 2197.22 1 -3 -3 8 2.52708 35.4935 2197.22 -1 3 -3 8 2.52708 35.4935 2197.22 3 1 -3 8 2.52708 35.4935 2197.22 -1 -3 3 8 2.52708 35.4935 2197.22 -3 1 3 8 2.52708 35.4935 2197.22 -3 -1 -3 8 2.52708 35.4935 2197.22 1 3 3 8 2.52708 35.4935 2197.22 2 2 5 8 2.51228 35.7096 1632.11 -2 -2 -5 8 2.51228 35.7096 1632.11 2 -2 -5 8 2.51228 35.7096 1632.11 -2 2 5 8 2.51228 35.7096 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