# TITLE *Iron-Fe-[IM3-M] Swanson, H.E.;Tatge, E.[1954] # CELL 2.886000 2.886000 2.886000 90.000000 90.000000 90.000000 # SPCGRP I M 3 M CUBIC STRUCTURE # ATOM FE 1 0.000000 0.000000 0.000000 # SCATTERING FACTOR COEFFICIENTS: FE F= 0.945 CM-12 # # 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] # # Physical parameters: # sigma_coh 11.22 coherent scattering cross section in [barn] # sigma_inc 0.4 incoherent scattering cross section in [barn] # sigma_abs 2.56 absorption scattering cross section in [barn] # density 7.87 in [g/cm^3] # weight 55.84 in [g/mol] # nb_atoms 2 in [atoms/unit cell] 1 1 0 14.18 28.37 2.0407 0.2401 60.03 1 1 0 1000.0 1.8 1.78 0.00 0.00 12 17.18 2 0 0 20.27 40.55 1.4430 0.4803 120.06 2 0 0 229.2 1.7 1.68 0.00 0.00 6 8.88 2 1 1 25.11 50.22 1.1782 0.7204 180.09 2 1 1 561.4 1.6 1.58 0.00 0.00 24 6.13 2 2 0 29.34 58.68 1.0204 0.9605 240.13 2 2 0 194.0 1.5 1.49 0.00 0.00 12 4.78 3 1 0 33.22 66.44 0.9126 1.2006 300.16 3 1 0 286.8 1.4 1.40 0.00 0.00 24 3.98 2 2 2 36.88 73.76 0.8331 1.4408 360.19 2 2 2 73.9 1.3 1.32 0.00 0.00 8 3.47 3 2 1 40.41 80.82 0.7713 1.6809 420.22 3 2 1 354.0 1.2 1.24 0.00 0.00 48 3.13 4 0 0 43.87 87.74 0.7215 1.9210 480.25 4 0 0 36.3 1.2 1.17 0.00 0.00 6 2.89 3 3 0 47.31 94.62 0.6802 2.1611 540.28 3 3 0 60.8 1.1 1.10 0.00 0.00 12 2.73 4 1 1 47.31 94.62 0.6802 2.1611 540.28 4 1 1 121.6 1.1 1.10 0.00 0.00 24 2.73 4 2 0 50.79 101.57 0.6453 2.4012 600.31 4 2 0 104.1 1.0 1.04 0.00 0.00 24 2.63 3 3 2 54.35 108.70 0.6153 2.6414 660.34 3 3 2 91.0 1.0 0.98 0.00 0.00 24 2.60 4 2 2 58.08 116.15 0.5891 2.8815 720.38 4 2 2 81.6 0.9 0.92 0.00 0.00 24 2.63 4 3 1 62.06 124.11 0.5660 3.1216 780.41 4 3 1 150.7 0.9 0.87 0.00 0.00 48 2.73 5 1 0 62.06 124.11 0.5660 3.1216 780.41 5 1 0 75.4 0.9 0.87 0.00 0.00 24 2.73 5 2 1 71.61 143.22 0.5269 3.6019 900.47 5 2 1 152.6 0.8 0.77 0.00 0.00 48 3.52 4 4 0 78.54 157.07 0.5102 3.8420 960.50 4 4 0 50.4 0.7 0.72 0.00 0.00 12 5.24