# TITLE *Tin-Sn-[I41/AMDS] Deshpande, V.P.;Sirdeshmukh, D.B.[1961] [Tin-beta white above 286.4 K/13.2 C] # CELL 5.832700 5.832700 3.182500 90.000000 90.000000 90.000000 # SPCGRP I 41/A M D TETRAGONAL STRUCTURE # ATOM SN 1 0.000000 0.000000 0.000000 # SCATTERING FACTOR COEFFICIENTS: SN F= 0.623 CM-12 # Reference: Acta Crystallographica (1961) 14, 333-356 # # Physical parameters: # sigma_coh 4.871 coherent scattering cross section in [barn] # sigma_inc 0.022 incoherent scattering cross section in [barn] # sigma_abs 0.626 absorption scattering cross section in [barn] # density 7.31 in [g/cm^3] # weight 118.7 in [g/mol] # nb_atoms 8 in [atoms/unit cell] # v_sound 2500 in [m/s] # v_sound_l 3320 velocity of longitudinal sound in [m/s] # v_sound_t 1670 velocity of transversal sound in [m/s] # T_m 505.08 melting temperature in [K] # T_b 2875 boiling temperature in [K] # At_number 50 atomic number Z # lattice_a 5.8327 lattice parameter a in [Angs] # lattice_c 3.1825 lattice parameter c 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 2 0 0 9.87 19.74 2.9163 0.1176 29.39 2 0 0 0.0 0.0 0.00 0.00 0.00 4 34.53 1 0 1 10.31 20.62 2.7937 0.1281 32.03 1 0 1 954.6 2.4 2.41 0.00 0.00 8 31.73 2 2 0 14.03 28.06 2.0622 0.2352 58.79 2 2 0 1000.0 4.7 4.70 0.00 0.00 4 17.53 2 1 1 14.35 28.70 2.0174 0.2457 61.43 2 1 1 953.4 2.3 -2.34 0.00 180.00 16 16.80 3 0 1 17.54 35.08 1.6591 0.3633 90.82 3 0 1 308.9 2.3 2.28 0.00 0.00 8 11.55 1 1 2 19.68 39.36 1.4846 0.4537 113.43 1 1 2 0.0 0.0 0.00 0.00 0.00 8 9.36 4 0 0 20.05 40.11 1.4582 0.4703 117.58 4 0 0 459.1 4.4 4.43 0.00 0.00 4 9.05 3 2 1 20.29 40.57 1.4421 0.4809 120.21 3 2 1 447.3 2.2 2.21 0.00 0.00 16 8.87 2 0 2 20.97 41.95 1.3968 0.5125 128.13 2 0 2 830.0 4.4 4.38 0.00 0.00 8 8.36 4 2 0 22.54 45.08 1.3042 0.5879 146.97 4 2 0 0.0 0.0 0.00 0.00 0.00 8 7.37 4 1 1 22.76 45.51 1.2927 0.5984 149.61 4 1 1 344.7 2.1 2.15 0.00 0.00 16 7.25 3 1 2 24.52 49.04 1.2048 0.6889 172.22 3 1 2 0.0 0.0 0.00 0.00 0.00 16 6.38 4 3 1 27.16 54.32 1.0953 0.8336 208.40 4 3 1 228.1 2.0 -2.02 0.00 180.00 16 5.39 5 0 1 27.16 54.32 1.0953 0.8336 208.40 5 0 1 114.0 2.0 2.02 0.00 0.00 8 5.39 4 0 2 27.72 55.43 1.0751 0.8652 216.31 4 0 2 0.0 0.0 0.00 0.00 0.00 8 5.22 1 0 3 28.62 57.25 1.0437 0.9180 229.50 1 0 3 100.6 2.0 1.98 0.00 0.00 8 4.96 3 3 2 28.73 57.45 1.0403 0.9240 231.01 3 3 2 0.0 0.0 0.00 0.00 0.00 8 4.94 4 4 0 29.01 58.02 1.0311 0.9406 235.15 4 4 0 194.9 3.9 3.94 0.00 0.00 4 4.86 5 2 1 29.19 58.37 1.0254 0.9512 237.79 5 2 1 192.1 2.0 1.96 0.00 0.00 16 4.82 4 2 2 29.71 59.43 1.0087 0.9828 245.70 4 2 2 735.6 3.9 3.90 0.00 0.00 16 4.69 2 1 3 30.58 61.17 0.9827 1.0356 258.89 2 1 3 171.5 1.9 1.92 0.00 0.00 16 4.49 6 0 0 30.95 61.91 0.9721 1.0582 264.55 6 0 0 0.0 0.0 0.00 0.00 0.00 4 4.41 3 0 3 32.47 64.95 0.9312 1.1531 288.29 3 0 3 74.1 1.9 1.87 0.00 0.00 8 4.11 5 1 2 32.57 65.14 0.9288 1.1592 289.80 5 1 2 0.0 0.0 0.00 0.00 0.00 16 4.09 6 2 0 32.83 65.66 0.9222 1.1758 293.94 6 2 0 288.6 3.7 3.71 0.00 0.00 8 4.05 6 1 1 33.00 65.99 0.9181 1.1863 296.58 6 1 1 142.5 1.9 -1.85 0.00 180.00 16 4.02 3 2 3 34.31 68.61 0.8871 1.2707 317.68 3 2 3 129.5 1.8 1.81 0.00 0.00 16 3.81 5 4 1 34.82 69.63 0.8757 1.3039 325.97 5 4 1 124.9 1.8 1.80 0.00 0.00 16 3.74 4 1 3 36.10 72.19 0.8487 1.3883 347.07 4 1 3 114.3 1.8 -1.76 0.00 180.00 16 3.57 5 3 2 36.19 72.37 0.8469 1.3943 348.58 5 3 2 0.0 0.0 0.00 0.00 0.00 16 3.55 6 3 1 36.59 73.19 0.8387 1.4215 355.37 6 3 1 110.5 1.7 1.75 0.00 0.00 16 3.50 6 0 2 37.07 74.13 0.8296 1.4531 363.28 6 0 2 214.0 3.5 3.47 0.00 0.00 8 3.45 6 4 0 38.18 76.36 0.8088 1.5285 382.12 6 4 0 0.0 0.0 0.00 0.00 0.00 8 3.33 7 0 1 38.34 76.67 0.8061 1.5390 384.76 7 0 1 49.2 1.7 1.70 0.00 0.00 8 3.31 6 2 2 38.80 77.60 0.7979 1.5707 392.67 6 2 2 0.0 0.0 0.00 0.00 0.00 16 3.27 0 0 4 38.93 77.87 0.7956 1.5797 394.93 0 0 4 47.4 3.4 3.36 0.00 0.00 2 3.26 4 3 3 39.57 79.15 0.7848 1.6235 405.86 4 3 3 91.1 1.7 1.66 0.00 0.00 16 3.20 5 0 3 39.57 79.15 0.7848 1.6235 405.86 5 0 3 45.5 1.7 1.66 0.00 0.00 8 3.20 7 2 1 40.06 80.11 0.7769 1.6566 414.16 7 2 1 88.4 1.6 1.65 0.00 0.00 16 3.15 2 0 4 40.65 81.30 0.7676 1.6973 424.33 2 0 4 0.0 0.0 0.00 0.00 0.00 8 3.11 5 2 3 41.28 82.56 0.7579 1.7410 435.26 5 2 3 82.1 1.6 1.61 0.00 0.00 16 3.06 2 2 4 42.34 84.69 0.7423 1.8149 453.72 2 2 4 154.4 3.2 3.17 0.00 0.00 8 2.98 5 5 2 43.06 86.12 0.7323 1.8646 466.16 5 5 2 0.0 0.0 0.00 0.00 0.00 8 2.94 7 1 2 43.06 86.12 0.7323 1.8646 466.16 7 1 2 0.0 0.0 0.00 0.00 0.00 16 2.94 3 1 4 43.19 86.38 0.7306 1.8737 468.42 3 1 4 0.0 0.0 0.00 0.00 0.00 16 2.93 8 0 0 43.30 86.60 0.7291 1.8812 470.31 8 0 0 73.2 3.1 3.11 0.00 0.00 4 2.92 6 5 1 43.45 86.90 0.7271 1.8918 472.94 6 5 1 72.6 1.6 -1.55 0.00 180.00 16 2.91 6 4 2 43.90 87.81 0.7210 1.9234 480.86 6 4 2 283.1 3.1 3.08 0.00 0.00 16 2.89 6 1 3 44.66 89.32 0.7114 1.9762 494.05 6 1 3 68.0 1.5 1.52 0.00 0.00 16 2.85 8 2 0 44.98 89.97 0.7073 1.9988 499.70 8 2 0 0.0 0.0 0.00 0.00 0.00 8 2.83 7 4 1 45.13 90.27 0.7055 2.0094 502.34 7 4 1 66.3 1.5 1.51 0.00 0.00 16 2.82 8 1 1 45.13 90.27 0.7055 2.0094 502.34 8 1 1 66.3 1.5 1.51 0.00 0.00 16 2.82 4 0 4 45.72 91.43 0.6984 2.0500 512.51 4 0 4 128.6 3.0 2.99 0.00 0.00 8 2.79 5 4 3 46.34 92.69 0.6911 2.0938 523.44 5 4 3 62.3 1.5 1.48 0.00 0.00 16 2.77 7 3 2 46.43 92.86 0.6901 2.0998 524.95 7 3 2 0.0 0.0 0.00 0.00 0.00 16 2.76 6 6 0 46.67 93.34 0.6874 2.1164 529.09 6 6 0 61.3 2.9 2.94 0.00 0.00 4 2.75 4 2 4 47.40 94.81 0.6792 2.1676 541.90 4 2 4 0.0 0.0 0.00 0.00 0.00 16 2.73 6 3 3 48.03 96.07 0.6725 2.2113 552.83 6 3 3 57.4 1.4 -1.43 0.00 180.00 16 2.71 8 3 1 48.51 97.02 0.6675 2.2445 561.13 8 3 1 56.2 1.4 -1.42 0.00 180.00 16 2.69 8 0 2 48.97 97.94 0.6628 2.2762 569.04 8 0 2 0.0 0.0 0.00 0.00 0.00 8 2.68 7 0 3 49.73 99.47 0.6553 2.3289 582.23 7 0 3 26.6 1.4 1.39 0.00 0.00 8 2.66 5 1 4 49.95 99.90 0.6532 2.3440 585.99 5 1 4 0.0 0.0 0.00 0.00 0.00 16 2.65 8 4 0 50.06 100.12 0.6521 2.3515 587.88 8 4 0 104.9 2.8 2.77 0.00 0.00 8 2.65 8 2 2 50.68 101.35 0.6463 2.3937 598.43 8 2 2 204.4 2.7 2.74 0.00 0.00 16 2.64 7 2 3 51.45 102.90 0.6393 2.4465 611.62 7 2 3 49.5 1.4 1.35 0.00 0.00 16 2.62 9 0 1 51.94 103.88 0.6350 2.4797 619.91 9 0 1 24.3 1.3 1.34 0.00 0.00 8 2.62 1 0 5 52.21 104.41 0.6327 2.4977 624.43 1 0 5 24.0 1.3 1.33 0.00 0.00 8 2.61 4 4 4 52.54 105.08 0.6299 2.5203 630.09 4 4 4 94.9 2.7 2.65 0.00 0.00 8 2.61 7 5 2 53.28 106.56 0.6238 2.5701 642.52 7 5 2 0.0 0.0 0.00 0.00 0.00 16 2.60 5 3 4 53.42 106.83 0.6227 2.5791 644.78 5 3 4 0.0 0.0 0.00 0.00 0.00 16 2.60 9 2 1 53.69 107.37 0.6205 2.5972 649.31 9 2 1 45.5 1.3 1.30 0.00 0.00 16 2.60 7 6 1 53.69 107.37 0.6205 2.5972 649.31 7 6 1 45.5 1.3 1.30 0.00 0.00 16 2.60 2 1 5 53.96 107.92 0.6184 2.6153 653.83 2 1 5 45.1 1.3 -1.30 0.00 180.00 16 2.60 6 0 4 54.30 108.60 0.6157 2.6379 659.48 6 0 4 0.0 0.0 0.00 0.00 0.00 8 2.60 6 5 3 54.96 109.93 0.6107 2.6816 670.41 6 5 3 43.6 1.3 1.27 0.00 0.00 16 2.60 8 5 1 55.47 110.94 0.6069 2.7148 678.70 8 5 1 42.9 1.3 1.26 0.00 0.00 16 2.60 3 0 5 55.75 111.50 0.6049 2.7329 683.22 3 0 5 21.3 1.3 1.26 0.00 0.00 8 2.60 8 4 2 55.96 111.92 0.6034 2.7465 686.62 8 4 2 0.0 0.0 0.00 0.00 0.00 16 2.60 6 2 4 56.10 112.19 0.6024 2.7555 688.87 6 2 4 168.4 2.5 2.50 0.00 0.00 16 2.60 7 4 3 56.78 113.55 0.5977 2.7992 699.80 7 4 3 41.3 1.2 1.24 0.00 0.00 16 2.61 8 1 3 56.78 113.55 0.5977 2.7992 699.80 8 1 3 41.3 1.2 -1.24 0.00 180.00 16 2.61 9 1 2 56.87 113.74 0.5971 2.8053 701.31 9 1 2 0.0 0.0 0.00 0.00 0.00 16 2.61 3 2 5 57.58 115.17 0.5923 2.8505 712.61 3 2 5 40.4 1.2 1.22 0.00 0.00 16 2.62 8 6 0 59.01 118.02 0.5833 2.9394 734.85 8 6 0 0.0 0.0 0.00 0.00 0.00 8 2.64 10 0 0 59.01 118.02 0.5833 2.9394 734.85 10 0 0 0.0 0.0 0.00 0.00 0.00 4 2.64 9 4 1 59.18 118.36 0.5822 2.9500 737.49 9 4 1 38.8 1.2 1.19 0.00 0.00 16 2.65 4 1 5 59.47 118.95 0.5805 2.9680 742.01 4 1 5 38.6 1.2 1.19 0.00 0.00 16 2.65 8 3 3 60.57 121.14 0.5741 3.0344 758.59 8 3 3 37.7 1.2 1.17 0.00 0.00 16 2.68 9 3 2 60.67 121.35 0.5735 3.0404 760.10 9 3 2 0.0 0.0 0.00 0.00 0.00 16 2.69 7 1 4 60.82 121.65 0.5727 3.0494 762.36 7 1 4 0.0 0.0 0.00 0.00 0.00 16 2.69 10 2 0 60.95 121.90 0.5719 3.0570 764.25 10 2 0 75.0 2.3 2.32 0.00 0.00 8 2.69 10 1 1 61.13 122.26 0.5710 3.0675 766.89 10 1 1 37.4 1.2 -1.16 0.00 180.00 16 2.70 6 4 4 61.82 123.65 0.5672 3.1082 777.06 6 4 4 0.0 0.0 0.00 0.00 0.00 16 2.73 5 0 5 63.49 126.98 0.5587 3.2032 800.80 5 0 5 18.1 1.1 1.12 0.00 0.00 8 2.80 4 3 5 63.49 126.98 0.5587 3.2032 800.80 4 3 5 36.2 1.1 -1.12 0.00 180.00 16 2.80 9 0 3 64.70 129.40 0.5530 3.2695 817.38 9 0 3 17.9 1.1 1.10 0.00 0.00 8 2.86 7 7 2 64.81 129.63 0.5525 3.2756 818.89 7 7 2 0.0 0.0 0.00 0.00 0.00 8 2.87 7 3 4 64.98 129.96 0.5518 3.2846 821.15 7 3 4 0.0 0.0 0.00 0.00 0.00 16 2.88 10 3 1 65.32 130.64 0.5503 3.3027 825.67 10 3 1 35.7 1.1 1.09 0.00 0.00 16 2.90 5 2 5 65.66 131.33 0.5488 3.3208 830.19 5 2 5 35.6 1.1 1.09 0.00 0.00 16 2.92 8 6 2 65.92 131.85 0.5476 3.3343 833.59 8 6 2 142.5 2.2 2.17 0.00 0.00 16 2.94 10 0 2 65.92 131.85 0.5476 3.3343 833.59 10 0 2 71.2 2.2 2.17 0.00 0.00 8 2.94 9 2 3 66.96 133.91 0.5434 3.3871 846.78 9 2 3 35.6 1.1 1.07 0.00 0.00 16 3.02 7 6 3 66.96 133.91 0.5434 3.3871 846.78 7 6 3 35.6 1.1 1.07 0.00 0.00 16 3.02 10 4 0 67.41 134.82 0.5416 3.4097 852.43 10 4 0 0.0 0.0 0.00 0.00 0.00 8 3.05 8 7 1 67.62 135.25 0.5407 3.4203 855.07 8 7 1 35.6 1.1 -1.06 0.00 180.00 16 3.07 10 2 2 68.27 136.55 0.5382 3.4519 862.98 10 2 2 0.0 0.0 0.00 0.00 0.00 16 3.13 8 0 4 68.46 136.93 0.5375 3.4610 865.24 8 0 4 71.6 2.1 2.10 0.00 0.00 8 3.15 8 5 3 69.40 138.79 0.5342 3.5047 876.17 8 5 3 36.1 1.0 -1.04 0.00 180.00 16 3.24 9 5 2 69.53 139.06 0.5337 3.5107 877.68 9 5 2 0.0 0.0 0.00 0.00 0.00 16 3.26 9 6 1 70.13 140.26 0.5317 3.5378 884.46 9 6 1 36.4 1.0 1.03 0.00 0.00 16 3.33 6 1 5 70.54 141.07 0.5303 3.5559 888.98 6 1 5 36.6 1.0 -1.02 0.00 180.00 16 3.38 8 2 4 71.06 142.12 0.5286 3.5785 894.63 8 2 4 0.0 0.0 0.00 0.00 0.00 16 3.44 1 1 6 71.88 143.76 0.5261 3.6132 903.30 1 1 6 0.0 0.0 0.00 0.00 0.00 8 3.56 11 0 1 72.93 145.86 0.5230 3.6554 913.86 11 0 1 19.2 1.0 1.00 0.00 0.00 8 3.73 2 0 6 73.36 146.72 0.5219 3.6720 917.99 2 0 6 77.8 2.0 1.99 0.00 0.00 8 3.80 5 4 5 73.40 146.80 0.5217 3.6735 918.37 5 4 5 39.0 1.0 0.99 0.00 0.00 16 3.81 6 6 4 74.00 148.00 0.5201 3.6961 924.03 6 6 4 79.4 2.0 1.98 0.00 0.00 8 3.93 9 4 3 75.22 150.45 0.5171 3.7398 934.96 9 4 3 41.5 1.0 0.98 0.00 0.00 16 4.19 7 5 4 75.67 151.34 0.5161 3.7549 938.72 7 5 4 0.0 0.0 0.00 0.00 0.00 16 4.30 8 8 0 75.90 151.79 0.5155 3.7624 940.61 8 8 0 42.7 1.9 1.95 0.00 0.00 4 4.36 11 2 1 76.22 152.44 0.5148 3.7730 943.25 11 2 1 43.3 1.0 0.97 0.00 0.00 16 4.45 10 5 1 76.22 152.44 0.5148 3.7730 943.25 10 5 1 43.3 1.0 -0.97 0.00 180.00 16 4.45 6 3 5 76.79 153.58 0.5136 3.7911 947.77 6 3 5 44.5 1.0 0.97 0.00 0.00 16 4.62 10 4 2 77.23 154.47 0.5127 3.8047 951.16 10 4 2 182.2 1.9 1.93 0.00 0.00 16 4.76 3 1 6 78.77 157.54 0.5098 3.8483 962.08 3 1 6 0.0 0.0 0.00 0.00 0.00 16 5.34 10 1 3 79.12 158.23 0.5092 3.8574 964.35 10 1 3 51.2 1.0 0.95 0.00 0.00 16 5.49 7 0 5 81.31 162.62 0.5058 3.9086 977.16 7 0 5 30.8 0.9 0.94 0.00 0.00 8 6.77 8 4 4 82.47 164.93 0.5044 3.9313 982.82 8 4 4 279.0 1.9 1.87 0.00 0.00 16 7.76 11 1 2 86.05 172.10 0.5012 3.9810 995.25 11 1 2 0.0 0.0 0.00 0.00 0.00 16 14.59 9 1 4 87.14 174.28 0.5006 3.9901 997.51 9 1 4 0.0 0.0 0.00 0.00 0.00 16 20.10 10 6 0 88.60 177.19 0.5001 3.9976 999.40 10 6 0 710.6 1.8 1.83 0.00 0.00 8 40.88