# TITLE *Zinc-Zn-[P63/MMC] Swanson, H.E.;Tatge, E.[1953] # CELL 2.665000 2.665000 4.947000 90.000000 90.000000 120.000000 # SPCGRP P 63/M M C HEXAGONAL STRUCTURE # ATOM ZN 1 0.333300 0.666700 0.250000 # SCATTERING FACTOR COEFFICIENTS: ZN F= 0.569 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 4.054 coherent scattering cross section in [barn] # sigma_inc 0.077 incoherent scattering cross section in [barn] # sigma_abs 1.11 absorption scattering cross section in [barn] # density 7.14 in [g/cm^3] # weight 65.41 in [g/mol] # nb_atoms 2 in [atoms/unit cell] 0 0 2 11.66 23.32 2.4735 0.1634 40.86 0 0 2 318.4 1.1 -1.09 0.00 180.00 2 24.99 1 0 0 12.51 25.02 2.3080 0.1877 46.93 1 0 0 206.0 0.5 -0.54 0.00 180.00 6 21.82 1 0 1 13.83 27.66 2.0915 0.2286 57.15 1 0 1 1000.0 0.9 -0.93 0.00 180.00 12 18.02 1 0 2 17.24 34.47 1.6875 0.3512 87.80 1 0 2 207.5 0.5 0.52 0.00 0.00 12 11.93 1 0 3 21.88 43.76 1.3417 0.5555 138.87 1 0 3 365.7 0.9 0.86 0.00 0.00 12 7.76 1 1 0 22.04 44.08 1.3325 0.5632 140.80 1 1 0 239.8 1.0 0.99 0.00 0.00 6 7.66 0 0 4 23.85 47.69 1.2368 0.6538 163.45 0 0 4 66.7 1.0 0.97 0.00 0.00 2 6.69 1 1 2 25.23 50.46 1.1731 0.7267 181.66 1 1 2 351.0 0.9 -0.95 0.00 180.00 12 6.09 2 0 0 25.68 51.35 1.1540 0.7509 187.73 2 0 0 42.1 0.5 -0.47 0.00 180.00 6 5.91 2 0 1 26.42 52.84 1.1238 0.7918 197.95 2 0 1 236.2 0.8 0.81 0.00 0.00 12 5.64 1 0 4 27.30 54.60 1.0901 0.8415 210.38 1 0 4 72.8 0.5 -0.46 0.00 180.00 12 5.35 2 0 2 28.56 57.13 1.0458 0.9144 228.60 2 0 2 65.4 0.5 0.45 0.00 0.00 12 4.98 2 0 3 31.93 63.85 0.9455 1.1187 279.67 2 0 3 149.8 0.7 -0.75 0.00 180.00 12 4.21 1 0 5 33.36 66.71 0.9094 1.2093 302.32 1 0 5 134.6 0.7 -0.73 0.00 180.00 12 3.96 1 1 4 33.48 66.95 0.9065 1.2170 304.25 1 1 4 177.9 0.8 0.84 0.00 0.00 12 3.94 2 1 0 34.97 69.94 0.8723 1.3141 328.54 2 1 0 39.9 0.4 -0.41 0.00 180.00 12 3.71 2 1 1 35.59 71.19 0.8591 1.3550 338.75 2 1 1 229.4 0.7 -0.70 0.00 180.00 24 3.63 2 0 4 36.34 72.68 0.8437 1.4047 351.18 2 0 4 36.3 0.4 -0.40 0.00 180.00 12 3.54 0 0 6 37.33 74.66 0.8245 1.4710 367.76 0 0 6 22.7 0.8 -0.79 0.00 180.00 2 3.42 2 1 2 37.43 74.86 0.8227 1.4776 369.40 2 1 2 67.5 0.4 0.39 0.00 0.00 24 3.41 1 0 6 40.09 80.18 0.7764 1.6588 414.69 1 0 6 28.5 0.4 0.38 0.00 0.00 12 3.15 2 1 3 40.42 80.85 0.7711 1.6819 420.47 2 1 3 167.7 0.6 0.65 0.00 0.00 24 3.12 3 0 0 40.54 81.07 0.7693 1.6896 422.40 3 0 0 55.5 0.7 0.75 0.00 0.00 6 3.12 3 0 1 41.13 82.26 0.7602 1.7305 432.62 3 0 1 0.0 0.0 0.00 0.00 0.00 12 3.07 2 0 5 41.73 83.47 0.7511 1.7725 443.12 2 0 5 77.5 0.6 0.63 0.00 0.00 12 3.02 3 0 2 42.89 85.79 0.7346 1.8531 463.26 3 0 2 96.8 0.7 -0.72 0.00 180.00 12 2.95 2 1 4 44.54 89.08 0.7128 1.9679 491.98 2 1 4 44.2 0.3 -0.35 0.00 180.00 24 2.85 1 1 6 45.49 90.98 0.7011 2.0342 508.56 1 1 6 84.1 0.7 -0.68 0.00 180.00 12 2.80 3 0 3 45.82 91.64 0.6972 2.0574 514.34 3 0 3 0.0 0.0 0.00 0.00 0.00 12 2.79 1 0 7 47.73 95.45 0.6757 2.1900 547.49 1 0 7 56.5 0.6 0.57 0.00 0.00 12 2.72 2 0 6 48.19 96.37 0.6709 2.2220 555.49 2 0 6 18.4 0.3 0.33 0.00 0.00 12 2.70 2 2 0 48.63 97.26 0.6662 2.2528 563.20 2 2 0 36.1 0.6 0.65 0.00 0.00 6 2.69 2 1 5 49.83 99.66 0.6543 2.3357 583.92 2 1 5 102.7 0.5 -0.55 0.00 180.00 24 2.65 3 0 4 49.94 99.89 0.6532 2.3434 585.85 3 0 4 68.2 0.6 0.63 0.00 0.00 12 2.65 2 2 2 51.01 102.01 0.6433 2.4163 604.07 2 2 2 65.2 0.6 -0.62 0.00 180.00 12 2.63 3 1 0 51.36 102.73 0.6401 2.4405 610.14 3 1 0 16.1 0.3 -0.31 0.00 180.00 12 2.62 3 1 1 51.96 103.93 0.6348 2.4814 620.35 3 1 1 94.1 0.5 0.53 0.00 0.00 24 2.62 3 1 2 53.79 107.58 0.6197 2.6040 651.00 3 1 2 29.3 0.3 0.30 0.00 0.00 24 2.60 0 0 8 53.96 107.91 0.6184 2.6151 653.79 0 0 8 9.7 0.6 0.59 0.00 0.00 2 2.60 3 0 5 55.41 110.83 0.6073 2.7112 677.79 3 0 5 0.0 0.0 0.00 0.00 0.00 12 2.60 2 0 7 56.06 112.12 0.6027 2.7532 688.29 2 0 7 40.9 0.5 -0.50 0.00 180.00 12 2.60 2 1 6 56.56 113.12 0.5992 2.7852 696.29 2 1 6 26.9 0.3 0.28 0.00 0.00 24 2.61 1 0 8 56.83 113.67 0.5973 2.8029 700.72 1 0 8 13.3 0.3 -0.28 0.00 180.00 12 2.61 3 1 3 56.92 113.84 0.5967 2.8083 702.08 3 1 3 79.7 0.5 -0.49 0.00 180.00 24 2.61 2 2 4 58.48 116.96 0.5866 2.9066 726.65 2 2 4 51.0 0.6 0.55 0.00 0.00 12 2.63 4 0 0 60.06 120.12 0.5770 3.0038 750.94 4 0 0 6.2 0.3 -0.27 0.00 180.00 6 2.67 4 0 1 60.74 121.49 0.5731 3.0446 761.15 4 0 1 36.5 0.5 -0.46 0.00 180.00 12 2.69 3 1 4 61.59 123.17 0.5685 3.0943 773.58 3 1 4 24.0 0.3 -0.26 0.00 180.00 24 2.72 3 0 6 62.74 125.47 0.5625 3.1606 790.16 3 0 6 47.2 0.5 -0.52 0.00 180.00 12 2.76 4 0 2 62.85 125.70 0.5619 3.1672 791.80 4 0 2 11.8 0.3 0.26 0.00 0.00 12 2.77 1 1 8 63.05 126.10 0.5609 3.1784 794.59 1 1 8 47.0 0.5 0.51 0.00 0.00 12 2.78 2 1 7 65.58 131.16 0.5491 3.3164 829.09 2 1 7 69.1 0.4 0.43 0.00 0.00 24 2.92 2 0 8 66.54 133.08 0.5451 3.3661 841.52 2 0 8 11.5 0.2 -0.25 0.00 180.00 12 2.99 4 0 3 66.65 133.29 0.5446 3.3715 842.88 4 0 3 34.5 0.4 0.42 0.00 0.00 12 2.99 3 1 5 68.49 136.97 0.5374 3.4621 865.52 3 1 5 69.4 0.4 0.41 0.00 0.00 24 3.15 1 0 9 69.24 138.48 0.5347 3.4975 874.38 1 0 9 34.9 0.4 -0.41 0.00 180.00 12 3.23 3 2 0 70.79 141.58 0.5295 3.5670 891.74 3 2 0 11.9 0.2 -0.23 0.00 180.00 12 3.41 3 2 1 71.75 143.51 0.5265 3.6078 901.95 3 2 1 72.5 0.4 -0.40 0.00 180.00 24 3.54 4 0 4 72.99 145.97 0.5229 3.6575 914.39 4 0 4 12.4 0.2 -0.23 0.00 180.00 12 3.74 3 0 7 73.89 147.77 0.5204 3.6918 922.96 3 0 7 0.0 0.0 0.00 0.00 0.00 12 3.90 2 2 6 74.77 149.53 0.5182 3.7238 930.96 2 2 6 52.7 0.4 -0.45 0.00 180.00 12 4.09 3 2 2 74.95 149.91 0.5178 3.7304 932.60 3 2 2 26.5 0.2 0.22 0.00 0.00 24 4.13