# TITLE *-Cu-[FM3-M] Otte, H.M.[1961] # CELL 3.615050 3.615050 3.615050 90.000000 90.000000 90.000000 # SPCGRP F M 3 M CUBIC STRUCTURE # ATOM CU 1 0.000000 0.000000 0.000000 # SCATTERING FACTOR COEFFICIENTS: CU F= 0.773 CM-12 # Reference: Journal of Applied Physics (1961) 32, 1536-1546 # # Physical parameters: # sigma_coh 7.485 coherent scattering cross section (single atom) in [barn] # sigma_inc 0.55 incoherent scattering cross section (single atom) in [barn] # sigma_abs 3.78 absorption scattering cross section (single atom) in [barn] # density 8.92 in [g/cm^3] # weight 63.55 in [g/mol] (single atom) # multiplicity 4 in [atoms/unit cell] # Vc 47.24 volume of unit cell in [A^3] # v_sound 3570 in [m/s] # v_sound_l 4760 velocity of longitudinal sound in [m/s] # v_sound_t 2325 velocity of transversal sound in [m/s] # T_m 1357.8 melting temperature in [K] # T_b 2840 boiling temperature in [K] # At_number 29 atomic number Z # lattice_a 3.61505 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 13.86 27.72 2.0872 0.2296 57.39 1 1 1 1000.0 2.9 2.92 0.00 0.00 8 17.95 2 0 0 16.06 32.12 1.8075 0.3061 76.52 2 0 0 547.0 2.9 2.86 0.00 0.00 6 13.60 2 2 0 23.03 46.06 1.2781 0.6122 153.04 2 2 0 490.1 2.7 2.65 0.00 0.00 12 7.10 3 1 1 27.30 54.61 1.0900 0.8417 210.43 3 1 1 658.3 2.5 2.51 0.00 0.00 24 5.35 2 2 2 28.63 57.26 1.0436 0.9182 229.56 2 2 2 196.0 2.5 2.46 0.00 0.00 8 4.96 4 0 0 33.59 67.18 0.9038 1.2243 306.08 4 0 0 99.7 2.3 2.28 0.00 0.00 6 3.92 3 3 1 37.08 74.15 0.8293 1.4539 363.47 3 3 1 312.5 2.1 2.15 0.00 0.00 24 3.45 4 2 0 38.21 76.42 0.8083 1.5304 382.60 4 2 0 290.1 2.1 2.11 0.00 0.00 24 3.33 4 2 2 42.65 85.31 0.7379 1.8365 459.12 4 2 2 221.7 2.0 1.95 0.00 0.00 24 2.96 5 1 1 45.95 91.89 0.6957 2.0660 516.51 5 1 1 185.8 1.8 1.84 0.00 0.00 24 2.78 3 3 3 45.95 91.89 0.6957 2.0660 516.51 3 3 3 61.9 1.8 1.84 0.00 0.00 8 2.78 4 4 0 51.48 102.96 0.6391 2.4486 612.15 4 4 0 72.3 1.7 1.68 0.00 0.00 12 2.62 5 3 1 54.91 109.82 0.6111 2.6782 669.54 5 3 1 255.3 1.6 1.58 0.00 0.00 48 2.60 4 4 2 56.08 112.17 0.6025 2.7547 688.67 4 4 2 123.1 1.6 1.55 0.00 0.00 24 2.60 6 0 0 56.08 112.17 0.6025 2.7547 688.67 6 0 0 30.8 1.6 1.55 0.00 0.00 6 2.60 6 2 0 61.02 122.03 0.5716 3.0608 765.19 6 2 0 109.4 1.4 1.44 0.00 0.00 24 2.70 5 3 3 65.09 130.18 0.5513 3.2903 822.58 5 3 3 104.4 1.4 1.36 0.00 0.00 24 2.89 6 2 2 66.56 133.11 0.5450 3.3669 841.71 6 2 2 104.0 1.3 1.33 0.00 0.00 24 2.99 4 4 4 73.38 146.77 0.5218 3.6729 918.23 4 4 4 37.9 1.2 1.23 0.00 0.00 8 3.81