# TITLE *Gold-Au-[FM3-M] Straumanis, M.E.[1988] at 298 K # CELL 4.078940 4.078940 4.078940 90.000000 90.000000 90.000000 # SPCGRP F M 3 M CUBIC STRUCTURE # ATOM AU 1 0.000000 0.000000 0.000000 # SCATTERING FACTOR COEFFICIENTS: AU F= 0.790 CM-12 # Reference: Journal of Materials Science (1988) 23, 757-760 # # Physical parameters: # sigma_coh 7.32 coherent scattering cross section (single atom) in [barn] # sigma_inc 0.43 incoherent scattering cross section (single atom) in [barn] # sigma_abs 98.65 absorption scattering cross section (single atom) in [barn] # density 19.3 in [g/cm^3] # weight 196.97 in [g/mol] (single atom) # multiplicity 4 in [atoms/unit cell] # Vc 67.86 volume of unit cell in [A^3] # v_sound 1740 in [m/s] # v_sound_l 3240 velocity of longitudinal sound in [m/s] # v_sound_t 1200 velocity of transversal sound in [m/s] # T_m 1337.4 melting temperature in [K] # T_b 3129 boiling temperature in [K] # At_number 79 atomic number Z # lattice_a 4.07894 lattice parameter a in [Angs] # # 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 LPG 1 1 1 12.26 24.52 2.3550 0.1803 45.08 1 1 1 1000.0 3.0 3.02 0.00 0.00 8 22.70 2 0 0 14.19 28.38 2.0395 0.2404 60.10 2 0 0 550.2 3.0 2.98 0.00 0.00 6 17.16 2 2 0 20.29 40.57 1.4421 0.4808 120.21 2 2 0 504.3 2.8 2.80 0.00 0.00 12 8.87 3 1 1 23.99 47.98 1.2298 0.6611 165.29 3 1 1 688.1 2.7 2.68 0.00 0.00 24 6.62 2 2 2 25.13 50.25 1.1775 0.7213 180.31 2 2 2 205.9 2.6 2.64 0.00 0.00 8 6.13 4 0 0 29.36 58.72 1.0197 0.9617 240.42 4 0 0 106.7 2.5 2.48 0.00 0.00 6 4.77 3 3 1 32.30 64.60 0.9358 1.1420 285.50 3 3 1 338.6 2.4 2.38 0.00 0.00 24 4.14 4 2 0 33.24 66.49 0.9121 1.2021 300.52 4 2 0 315.5 2.3 2.34 0.00 0.00 24 3.98 4 2 2 36.91 73.81 0.8326 1.4425 360.63 4 2 2 243.8 2.2 2.20 0.00 0.00 24 3.47 5 1 1 39.56 79.13 0.7850 1.6228 405.70 5 1 1 205.4 2.1 2.11 0.00 0.00 24 3.20 3 3 3 39.56 79.13 0.7850 1.6228 405.70 3 3 3 68.5 2.1 2.11 0.00 0.00 8 3.20 4 4 0 43.90 87.80 0.7211 1.9233 480.83 4 4 0 79.8 2.0 1.95 0.00 0.00 12 2.89 5 3 1 46.49 92.97 0.6895 2.1036 525.91 5 3 1 279.0 1.9 1.87 0.00 0.00 48 2.76 4 4 2 47.35 94.70 0.6798 2.1638 540.94 4 4 2 133.7 1.8 1.84 0.00 0.00 24 2.73 6 0 0 47.35 94.70 0.6798 2.1638 540.94 6 0 0 33.4 1.8 1.84 0.00 0.00 6 2.73 6 2 0 50.83 101.66 0.6449 2.4042 601.04 6 2 0 114.5 1.7 1.73 0.00 0.00 24 2.63 5 3 3 53.50 106.99 0.6220 2.5845 646.12 5 3 3 103.3 1.7 1.66 0.00 0.00 24 2.60 6 2 2 54.40 108.80 0.6149 2.6446 661.15 6 2 2 100.2 1.6 1.63 0.00 0.00 24 2.60 4 4 4 58.13 116.26 0.5887 2.8850 721.25 4 4 4 29.9 1.5 1.54 0.00 0.00 8 2.63 5 5 1 61.09 122.19 0.5712 3.0653 766.33 5 5 1 84.3 1.5 1.47 0.00 0.00 24 2.70 7 1 1 61.09 122.19 0.5712 3.0653 766.33 7 1 1 84.3 1.5 1.47 0.00 0.00 24 2.70 6 4 0 62.12 124.24 0.5656 3.1254 781.36 6 4 0 83.0 1.4 1.45 0.00 0.00 24 2.74 6 4 2 66.54 133.07 0.5451 3.3658 841.46 6 4 2 160.4 1.4 1.36 0.00 0.00 48 2.98 5 5 3 70.32 140.63 0.5310 3.5462 886.54 5 5 3 82.2 1.3 1.30 0.00 0.00 24 3.35 7 3 1 70.32 140.63 0.5310 3.5462 886.54 7 3 1 164.5 1.3 1.30 0.00 0.00 48 3.35 8 0 0 78.71 157.42 0.5099 3.8467 961.67 8 0 0 28.1 1.2 1.21 0.00 0.00 6 5.31