# TITLE *Palladium-Pd-[FM3-M] King, H.W.;Manchester, F.D.[1972] # CELL 3.887400 3.887400 3.887400 90.000000 90.000000 90.000000 # SPCGRP F M 3 M CUBIC STRUCTURE # ATOM PD 1 0.000000 0.000000 0.000000 # SCATTERING FACTOR COEFFICIENTS: PD F= 0.510 CM-12 # Reference: Journal of Physics F (1978) 8, 15-26 # # Physical parameters: # sigma_coh 4.39 coherent scattering cross section in [barn] # sigma_inc 0.093 incoherent scattering cross section in [barn] # sigma_abs 6.9 absorption scattering cross section in [barn] # density 12.02 in [g/cm^3] # weight 106.4 in [g/mol] # nb_atoms 4 in [atoms/unit cell] # v_sound 3070 in [m/s] # T_m 1828.05 melting temperature in [K] # T_b 3236 boiling temperature in [K] # At_number 46 atomic number Z # lattice_a 3.8874 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 12.87 25.74 2.2444 0.1985 49.63 1 1 1 1000.0 1.9 1.94 0.00 0.00 8 20.67 2 0 0 14.91 29.81 1.9437 0.2647 66.17 2 0 0 549.0 1.9 1.91 0.00 0.00 6 15.64 2 2 0 21.33 42.67 1.3744 0.5294 132.35 2 2 0 498.9 1.8 1.79 0.00 0.00 12 8.11 3 1 1 25.25 50.50 1.1721 0.7279 181.98 3 1 1 676.8 1.7 1.70 0.00 0.00 24 6.08 2 2 2 26.46 52.92 1.1222 0.7941 198.52 2 2 2 202.1 1.7 1.67 0.00 0.00 8 5.63 4 0 0 30.96 61.93 0.9719 1.0588 264.69 4 0 0 104.0 1.6 1.57 0.00 0.00 6 4.41 3 3 1 34.10 68.20 0.8918 1.2573 314.32 3 3 1 328.4 1.5 1.49 0.00 0.00 24 3.84 4 2 0 35.11 70.23 0.8692 1.3235 330.87 4 2 0 305.6 1.5 1.47 0.00 0.00 24 3.69 4 2 2 39.06 78.12 0.7935 1.5882 397.04 4 2 2 235.0 1.4 1.37 0.00 0.00 24 3.24 5 1 1 41.94 83.88 0.7481 1.7867 446.67 5 1 1 197.5 1.3 1.31 0.00 0.00 24 3.01 3 3 3 41.94 83.88 0.7481 1.7867 446.67 3 3 3 65.8 1.3 1.31 0.00 0.00 8 3.01 4 4 0 46.68 93.37 0.6872 2.1175 529.38 4 4 0 76.6 1.2 1.20 0.00 0.00 12 2.75 5 3 1 49.55 99.09 0.6571 2.3161 579.01 5 3 1 268.0 1.1 1.14 0.00 0.00 48 2.66 4 4 2 50.51 101.02 0.6479 2.3822 595.56 4 4 2 128.6 1.1 1.12 0.00 0.00 24 2.64 6 0 0 50.51 101.02 0.6479 2.3822 595.56 6 0 0 32.2 1.1 1.12 0.00 0.00 6 2.64 6 2 0 54.44 108.87 0.6147 2.6469 661.73 6 2 0 110.9 1.1 1.05 0.00 0.00 24 2.60 5 3 3 57.50 115.01 0.5928 2.8454 711.36 5 3 3 101.1 1.0 1.00 0.00 0.00 24 2.62 6 2 2 58.56 117.12 0.5860 2.9116 727.90 6 2 2 98.5 1.0 0.99 0.00 0.00 24 2.63 4 4 4 63.01 126.03 0.5611 3.1763 794.08 4 4 4 30.3 0.9 0.92 0.00 0.00 8 2.78 5 5 1 66.71 133.43 0.5443 3.3748 843.71 5 5 1 88.9 0.9 0.88 0.00 0.00 24 3.00 7 1 1 66.71 133.43 0.5443 3.3748 843.71 7 1 1 88.9 0.9 0.88 0.00 0.00 24 3.00 6 4 0 68.05 136.10 0.5391 3.4410 860.25 6 4 0 89.2 0.9 0.86 0.00 0.00 24 3.11 6 4 2 74.26 148.52 0.5195 3.7057 926.42 6 4 2 200.0 0.8 0.81 0.00 0.00 48 3.98 5 5 3 81.10 162.20 0.5061 3.9042 976.05 5 5 3 150.7 0.8 0.77 0.00 0.00 24 6.62 7 3 1 81.10 162.20 0.5061 3.9042 976.05 7 3 1 301.3 0.8 0.77 0.00 0.00 48 6.62