# Duplex steel 0.5-alpha, 0.5-gamma, fake structure file normalized on alpha unit cell # Physical parameters: # sigma_coh 11.22 coherent scattering cross section (single atom) in [barn] # sigma_inc 0.4 incoherent scattering cross section (single atom) in [barn] # sigma_abs 2.56 absorption scattering cross section (single atom) in [barn] # density 7.935 in [g/cm^3] # weight 55.84 in [g/mol] (single atom) # multiplicity 2 in [atoms/unit cell] # Vc 24.04 volume of unit cell in [A^3] # # Format parameters: Lazy format # column_j 17 multiplicity 'j' # column_d 6 d-spacing 'd' in [Angs] # column_F 13 norm of scattering factor |F| in [barn^0.5] # column_h 1 # column_k 2 # column_l 3 # # # H K L THETA 2THETA D VALUE 1/D**2 SIN2*1000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT 1 1 1 13.74 27.48 2.1055 0.2256 56.39 1 1 1 1000 1.248 1.238 0 0 8 18.25 1 1 0 14.18 28.37 2.0407 0.2401 60.03 1 1 0 1000 1.273 1.259 0 0 12 17.18 2 0 0 15.92 31.83 1.8234 0.3008 75.19 2 0 0 547.2 1.214 1.217 0 0 6 13.83 2 0 0 20.27 40.55 1.443 0.4803 120.06 2 0 0 229.2 1.202 1.188 0 0 6 8.88 2 2 0 22.82 45.63 1.2893 0.6015 150.39 2 2 0 491.2 1.144 1.127 0 0 12 7.21 2 1 1 25.11 50.22 1.1782 0.7204 180.09 2 1 1 561.4 1.131 1.117 0 0 24 6.13 3 1 1 27.05 54.1 1.0996 0.8271 206.78 3 1 1 660.6 1.075 1.065 0 0 24 5.43 2 2 2 28.36 56.71 1.0527 0.9023 225.58 2 2 2 196.7 1.040 1.047 0 0 8 5.04 2 2 0 29.34 58.68 1.0204 0.9605 240.13 2 2 0 194 1.061 1.054 0 0 12 4.78 3 1 0 33.22 66.44 0.9126 1.2006 300.16 3 1 0 286.8 0.990 0.990 0 0 24 3.98 4 0 0 33.26 66.52 0.9117 1.2031 300.77 4 0 0 100.2 0.971 0.971 0 0 6 3.98 3 3 1 36.7 73.4 0.8366 1.4287 357.17 3 3 1 314.5 0.902 0.915 0 0 24 3.49 2 2 2 36.88 73.76 0.8331 1.4408 360.19 2 2 2 73.9 0.919 0.933 0 0 8 3.47 4 2 0 37.82 75.64 0.8154 1.5039 375.96 4 2 0 292 0.902 0.902 0 0 24 3.37 3 2 1 40.41 80.82 0.7713 1.6809 420.22 3 2 1 354 0.849 0.877 0 0 48 3.13 4 2 2 42.2 84.39 0.7444 1.8046 451.16 4 2 2 223.3 0.832 0.836 0 0 24 2.99 4 0 0 43.87 87.74 0.7215 1.921 480.25 4 0 0 36.3 0.849 0.827 0 0 6 2.89 3 3 3 45.43 90.87 0.7018 2.0302 507.55 3 3 3 62.4 0.798 0.791 0 0 8 2.81 5 1 1 45.43 90.87 0.7018 2.0302 507.55 5 1 1 187.2 0.798 0.791 0 0 24 2.81 3 3 0 47.31 94.62 0.6802 2.1611 540.28 3 3 0 60.8 0.778 0.778 0 0 12 2.73 4 1 1 47.31 94.62 0.6802 2.1611 540.28 4 1 1 121.6 0.778 0.778 0 0 24 2.73 4 2 0 50.79 101.57 0.6453 2.4012 600.31 4 2 0 104.1 0.707 0.735 0 0 24 2.63 4 4 0 50.86 101.72 0.6447 2.4062 601.54 4 4 0 72.7 0.728 0.718 0 0 12 2.63 5 3 1 54.21 108.41 0.6164 2.6317 657.94 5 3 1 256.5 0.694 0.680 0 0 48 2.6 3 3 2 54.35 108.7 0.6153 2.6414 660.34 3 3 2 91 0.707 0.693 0 0 24 2.6 4 4 2 55.35 110.7 0.6078 2.7069 676.73 4 4 2 123.5 0.659 0.666 0 0 24 2.6 6 0 0 55.35 110.7 0.6078 2.7069 676.73 6 0 0 30.9 0.659 0.666 0 0 6 2.6 4 2 2 58.08 116.15 0.5891 2.8815 720.38 4 2 2 81.6 0.636 0.651 0 0 24 2.63 6 2 0 60.13 120.26 0.5766 3.0077 751.93 6 2 0 109.2 0.624 0.617 0 0 24 2.67 4 3 1 62.06 124.11 0.566 3.1216 780.41 4 3 1 150.7 0.636 0.615 0 0 48 2.73 5 1 0 62.06 124.11 0.566 3.1216 780.41 5 1 0 75.4 0.636 0.615 0 0 24 2.73 5 3 3 64.04 128.07 0.5561 3.2333 808.32 5 3 3 103.2 0.590 0.583 0 0 24 2.83 6 2 2 65.43 130.86 0.5498 3.3085 827.12 6 2 2 102.3 0.590 0.572 0 0 24 2.91 5 2 1 71.61 143.22 0.5269 3.6019 900.47 5 2 1 152.6 0.566 0.544 0 0 48 3.52 4 4 4 71.79 143.57 0.5264 3.6093 902.31 4 4 4 35.8 0.520 0.531 0 0 8 3.55 5 5 1 78.28 156.55 0.5107 3.8348 958.71 5 5 1 138.8 0.485 0.503 0 0 24 5.13 7 1 1 78.28 156.55 0.5107 3.8348 958.71 7 1 1 138.8 0.485 0.503 0 0 24 5.13 4 4 0 78.54 157.07 0.5102 3.842 960.5 4 4 0 50.4 0.495 0.509 0 0 12 5.24 6 4 0 81.37 162.75 0.5057 3.91 977.51 6 4 0 177.6 0.485 0.492 0 0 24 6.82