# TITLE *-Be-[P63/MMC] Yang, Y.W.;Coppens, P.[1978] # CELL 2.285800 2.285800 3.584300 90.000000 90.000000 120.000000 # SPCGRP P 63/M M C HEXAGONAL STRUCTURE # ATOM BE 1 0.333300 0.666700 0.750000 # SCATTERING FACTOR COEFFICIENTS: BE F= 0.779 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 7.63 coherent scattering cross section in [barn] # sigma_inc 0.0018 incoherent scattering cross section in [barn] # sigma_abs 0.0076 absorption scattering cross section in [barn] # density 1.848 in [g/cm^3] # weight 9.01 in [g/mol] # nb_atoms 2 in [atoms/unit cell] 1 0 0 14.63 29.26 1.9796 0.2552 63.80 1 0 0 223.8 0.7 -0.73 0.00 180.00 6 16.20 0 0 2 16.20 32.40 1.7922 0.3114 77.84 0 0 2 239.6 1.4 -1.44 0.00 180.00 2 13.38 1 0 1 16.77 33.54 1.7328 0.3330 83.26 1 0 1 1000.0 1.2 1.24 0.00 0.00 12 12.54 1 0 2 22.11 44.21 1.3286 0.5665 141.64 1 0 2 180.2 0.7 0.68 0.00 0.00 12 7.62 1 1 0 25.94 51.89 1.1429 0.7656 191.39 1 1 0 248.7 1.3 1.29 0.00 0.00 6 5.81 1 0 3 29.26 58.52 1.0229 0.9557 238.93 1 0 3 280.1 1.1 -1.06 0.00 180.00 12 4.80 2 0 0 30.34 60.68 0.9898 1.0208 255.19 2 0 0 42.8 0.6 -0.60 0.00 180.00 6 4.54 1 1 2 31.26 62.51 0.9636 1.0769 269.23 1 1 2 318.4 1.2 -1.19 0.00 180.00 12 4.34 2 0 1 31.61 63.21 0.9541 1.0986 274.65 2 0 1 232.4 1.0 -1.03 0.00 180.00 12 4.28 0 0 4 33.92 67.83 0.8961 1.2454 311.35 0 0 4 43.4 1.1 1.14 0.00 0.00 2 3.87 2 0 2 35.25 70.49 0.8664 1.3321 333.03 2 0 2 59.3 0.6 0.56 0.00 0.00 12 3.68 1 0 4 37.77 75.54 0.8163 1.5006 375.15 1 0 4 50.0 0.5 -0.54 0.00 180.00 12 3.37 2 0 3 40.99 81.99 0.7622 1.7213 430.32 2 0 3 122.6 0.9 0.88 0.00 0.00 12 3.08 2 1 0 41.93 83.87 0.7482 1.7863 446.58 2 1 0 38.7 0.5 -0.50 0.00 180.00 12 3.01 2 1 1 43.05 86.11 0.7324 1.8642 466.04 2 1 1 217.7 0.8 0.85 0.00 0.00 24 2.94 1 1 4 45.16 90.31 0.7052 2.0110 502.74 1 1 4 129.6 0.9 0.94 0.00 0.00 12 2.82 2 1 2 46.40 92.80 0.6904 2.0977 524.42 2 1 2 60.8 0.5 0.46 0.00 0.00 24 2.77 1 0 5 47.89 95.77 0.6740 2.2011 550.28 1 0 5 84.9 0.8 0.78 0.00 0.00 12 2.71 2 0 4 48.82 97.65 0.6643 2.2662 566.54 2 0 4 27.1 0.4 -0.44 0.00 180.00 12 2.68 3 0 0 49.27 98.53 0.6599 2.2967 574.18 3 0 0 53.1 0.9 0.88 0.00 0.00 6 2.67 3 0 1 50.40 100.79 0.6489 2.3745 593.64 3 0 1 0.0 0.0 0.00 0.00 0.00 12 2.64 2 1 3 52.04 104.09 0.6341 2.4869 621.72 2 1 3 142.0 0.7 -0.72 0.00 180.00 24 2.62 3 0 2 53.85 107.70 0.6192 2.6081 652.01 3 0 2 88.6 0.8 -0.81 0.00 180.00 12 2.60 0 0 6 56.82 113.65 0.5974 2.8022 700.54 0 0 6 13.4 0.8 -0.77 0.00 180.00 2 2.61 2 0 5 59.45 118.90 0.5806 2.9667 741.68 2 0 5 56.7 0.6 -0.64 0.00 180.00 12 2.65 3 0 3 59.95 119.91 0.5776 2.9972 749.31 3 0 3 0.0 0.0 0.00 0.00 0.00 12 2.67 2 1 4 60.53 121.06 0.5743 3.0317 757.93 2 1 4 37.0 0.4 -0.37 0.00 180.00 24 2.68 1 0 6 60.96 121.92 0.5719 3.0574 764.34 1 0 6 18.3 0.4 0.36 0.00 0.00 12 2.70 2 2 0 61.04 122.08 0.5714 3.0623 765.57 2 2 0 36.6 0.7 0.72 0.00 0.00 6 2.70 3 1 0 65.60 131.20 0.5490 3.3175 829.36 3 1 0 17.4 0.3 -0.34 0.00 180.00 12 2.92 2 2 2 66.69 133.38 0.5444 3.3736 843.41 2 2 2 69.6 0.7 -0.67 0.00 180.00 12 3.00 3 1 1 67.12 134.24 0.5427 3.3953 848.82 3 1 1 104.5 0.6 -0.58 0.00 180.00 24 3.03 3 0 4 70.22 140.45 0.5313 3.5421 885.53 3 0 4 71.3 0.6 0.64 0.00 0.00 12 3.34 1 1 6 70.81 141.62 0.5294 3.5677 891.93 1 1 6 71.9 0.6 -0.64 0.00 180.00 12 3.41 3 1 2 72.26 144.53 0.5249 3.6288 907.20 3 1 2 37.0 0.3 0.31 0.00 0.00 24 3.62 2 1 5 75.01 150.01 0.5176 3.7323 933.07 2 1 5 120.7 0.5 0.53 0.00 0.00 24 4.14 2 0 6 77.85 155.71 0.5114 3.8229 955.73 2 0 6 23.1 0.3 0.30 0.00 0.00 12 4.97