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# TITLE *-Tl-[P63/MMC] Lipson, H.;Stokes, A.R.[1941] [Tl-alpha below 505 K, toxic]
# CELL 3.456600 3.456600 5.524800 90.000000 90.000000 120.000000
# SPCGRP P 63/M M C HEXAGONAL STRUCTURE
# ATOM TL 1 0.333300 0.666700 0.250000
# SCATTERING FACTOR COEFFICIENTS: TL F= 0.878 CM-12
# Reference: Nature (1941) 148, 437-437
#
# Physical parameters:
# sigma_coh 9.678 coherent scattering cross section (single atom) in [barn]
# sigma_inc 0.21 incoherent scattering cross section (single atom) in [barn]
# sigma_abs 3.43 absorption scattering cross section (single atom) in [barn]
# density 11.85 in [g/cm^3]
# weight 204.4 in [g/mol] (single atom)
# multiplicity 2 in [atoms/unit cell]
# Vc 57.17 volume of unit cell in [A^3]
# v_sound 818 in [m/s]
# T_m 577 melting temperature in [K]
# T_b 1746 boiling temperature in [K]
# At_number 81 atomic number Z
# lattice_a 3.4566 lattice parameter a in [Angs]
# lattice_c 5.5248 lattice parameter c in [Angs]
# lattice_cc 120 lattice angle gamma in [deg]
#
# Format parameters: Lazy format <http://icsd.ill.fr>
# 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 0 0 9.62 19.23 2.9935 0.1116 27.90 1 0 0 218.2 0.9 -0.85 0.00 180.00 6 36.35
0 0 2 10.43 20.86 2.7624 0.1310 32.76 0 0 2 246.0 1.7 -1.70 0.00 180.00 2 31.04
1 0 1 10.95 21.90 2.6320 0.1444 36.09 1 0 1 1000.0 1.5 -1.47 0.00 180.00 12 28.22
1 0 2 14.26 28.52 2.0301 0.2426 60.66 1 0 2 191.3 0.8 0.83 0.00 0.00 12 17.01
1 1 0 16.82 33.63 1.7283 0.3348 83.70 1 1 0 268.1 1.6 1.62 0.00 0.00 6 12.48
1 0 3 18.59 37.18 1.5685 0.4064 101.61 1 0 3 322.7 1.4 1.37 0.00 0.00 12 10.38
2 0 0 19.52 39.03 1.4968 0.4464 111.59 2 0 0 48.3 0.8 -0.79 0.00 180.00 6 9.51
1 1 2 19.95 39.91 1.4652 0.4658 116.46 1 1 2 367.5 1.6 -1.56 0.00 180.00 12 9.14
2 0 1 20.25 40.50 1.4447 0.4791 119.78 2 0 1 266.7 1.3 1.35 0.00 0.00 12 8.90
0 0 4 21.22 42.45 1.3812 0.5242 131.05 0 0 4 53.3 1.5 1.54 0.00 0.00 2 8.19
2 0 2 22.33 44.66 1.3160 0.5774 144.36 2 0 2 71.2 0.8 0.76 0.00 0.00 12 7.49
1 0 4 23.50 46.99 1.2541 0.6358 158.95 1 0 4 63.4 0.7 -0.75 0.00 180.00 12 6.86
2 0 3 25.50 51.00 1.1615 0.7412 185.31 2 0 3 157.2 1.3 -1.26 0.00 180.00 12 5.98
2 1 0 26.23 52.45 1.1314 0.7812 195.29 2 1 0 49.0 0.7 -0.72 0.00 180.00 12 5.71
2 1 1 26.81 53.63 1.1084 0.8139 203.48 2 1 1 279.2 1.2 -1.24 0.00 180.00 24 5.51
1 1 4 27.61 55.21 1.0790 0.8590 214.74 1 1 4 173.7 1.4 1.42 0.00 0.00 12 5.26
2 1 2 28.53 57.05 1.0470 0.9122 228.05 2 1 2 80.3 0.7 0.70 0.00 0.00 24 4.99
1 0 5 28.84 57.68 1.0366 0.9306 232.66 1 0 5 117.3 1.2 -1.21 0.00 180.00 12 4.91
2 0 4 29.51 59.02 1.0151 0.9706 242.64 2 0 4 37.0 0.7 -0.69 0.00 180.00 12 4.74
3 0 0 30.07 60.14 0.9978 1.0043 251.09 3 0 0 70.7 1.4 1.37 0.00 0.00 6 4.60
3 0 1 30.61 61.22 0.9819 1.0371 259.28 3 0 1 0.0 0.0 0.00 0.00 0.00 12 4.48
2 1 3 31.24 62.48 0.9640 1.0760 269.00 2 1 3 193.4 1.2 1.16 0.00 0.00 24 4.35
3 0 2 32.19 64.39 0.9385 1.1354 283.85 3 0 2 119.8 1.3 -1.32 0.00 180.00 12 4.16
0 0 6 32.89 65.78 0.9208 1.1794 294.86 0 0 6 19.0 1.3 -1.31 0.00 180.00 2 4.04
2 0 5 34.23 68.45 0.8890 1.2654 316.35 2 0 5 77.3 1.1 1.11 0.00 0.00 12 3.82
1 0 6 34.62 69.24 0.8801 1.2910 322.75 1 0 6 25.1 0.6 0.64 0.00 0.00 12 3.76
3 0 3 34.74 69.49 0.8773 1.2992 324.80 3 0 3 0.0 0.0 0.00 0.00 0.00 12 3.75
2 1 4 34.84 69.68 0.8753 1.3053 326.34 2 1 4 49.4 0.6 -0.63 0.00 180.00 24 3.73
2 2 0 35.35 70.70 0.8641 1.3391 334.78 2 2 0 47.6 1.3 1.26 0.00 0.00 6 3.66
3 1 0 37.03 74.06 0.8302 1.4507 362.68 3 1 0 21.2 0.6 -0.61 0.00 180.00 12 3.45
2 2 2 37.32 74.64 0.8247 1.4702 367.54 2 2 2 83.3 1.2 -1.22 0.00 180.00 12 3.42
3 1 1 37.52 75.03 0.8210 1.4835 370.87 3 1 1 123.3 1.0 1.05 0.00 0.00 24 3.40
1 1 6 37.97 75.94 0.8127 1.5142 378.55 1 1 6 79.8 1.2 -1.20 0.00 180.00 12 3.35
3 0 4 38.18 76.37 0.8088 1.5285 382.13 3 0 4 78.7 1.2 1.20 0.00 0.00 12 3.33
3 1 2 38.96 77.93 0.7951 1.5818 395.44 3 1 2 37.4 0.6 0.59 0.00 0.00 24 3.25
2 1 5 39.23 78.47 0.7905 1.6002 400.05 2 1 5 110.4 1.0 -1.02 0.00 180.00 24 3.23
2 0 6 39.61 79.22 0.7843 1.6258 406.45 2 0 6 18.0 0.6 0.58 0.00 0.00 12 3.19
1 0 7 40.93 81.86 0.7632 1.7169 429.23 1 0 7 49.8 1.0 0.99 0.00 0.00 12 3.08
3 1 3 41.35 82.69 0.7569 1.7456 436.39 3 1 3 97.1 1.0 -0.98 0.00 180.00 24 3.05
4 0 0 41.92 83.84 0.7484 1.7855 446.38 4 0 0 7.8 0.6 -0.56 0.00 180.00 6 3.01
4 0 1 42.39 84.79 0.7416 1.8183 454.57 4 0 1 45.7 1.0 -0.97 0.00 180.00 12 2.98
3 0 5 42.47 84.93 0.7406 1.8234 455.85 3 0 5 0.0 0.0 0.00 0.00 0.00 12 2.97
2 2 4 43.04 86.08 0.7326 1.8633 465.83 2 2 4 58.7 1.1 1.10 0.00 0.00 12 2.94
4 0 2 43.80 87.61 0.7223 1.9165 479.14 4 0 2 14.1 0.5 0.54 0.00 0.00 12 2.89
2 1 6 44.44 88.87 0.7142 1.9606 490.14 2 1 6 27.2 0.5 0.54 0.00 0.00 24 2.86
3 1 4 44.64 89.28 0.7116 1.9749 493.73 3 1 4 26.9 0.5 -0.54 0.00 180.00 24 2.85
2 0 7 45.74 91.48 0.6981 2.0517 512.93 2 0 7 38.1 0.9 -0.91 0.00 180.00 12 2.79
4 0 3 46.15 92.30 0.6933 2.0804 520.09 4 0 3 37.4 0.9 0.90 0.00 0.00 12 2.78
0 0 8 46.39 92.77 0.6906 2.0968 524.19 0 0 8 8.2 1.0 1.04 0.00 0.00 2 2.77
3 2 0 46.72 93.45 0.6868 2.1203 530.07 3 2 0 12.1 0.5 -0.52 0.00 180.00 12 2.75
3 2 1 47.19 94.39 0.6815 2.1530 538.26 3 2 1 71.0 0.9 -0.89 0.00 180.00 24 2.73
3 0 6 47.64 95.27 0.6767 2.1838 545.94 3 0 6 46.3 1.0 -1.02 0.00 180.00 12 2.72
1 0 8 47.99 95.98 0.6729 2.2083 552.09 1 0 8 11.4 0.5 -0.51 0.00 180.00 12 2.71
3 2 2 48.61 97.22 0.6665 2.2513 562.83 3 2 2 22.1 0.5 0.50 0.00 0.00 24 2.69
3 1 5 48.88 97.75 0.6638 2.2698 567.44 3 1 5 65.6 0.9 0.86 0.00 0.00 24 2.68
4 0 4 49.45 98.91 0.6580 2.3097 577.42 4 0 4 10.7 0.5 -0.49 0.00 180.00 12 2.66
4 1 0 49.94 99.89 0.6532 2.3435 585.87 4 1 0 41.7 1.0 0.98 0.00 0.00 12 2.65
4 1 1 50.42 100.84 0.6487 2.3762 594.06 4 1 1 0.0 0.0 0.00 0.00 0.00 24 2.64
2 1 7 50.57 101.14 0.6473 2.3865 596.62 2 1 7 61.0 0.8 0.84 0.00 0.00 24 2.64
3 2 3 50.99 101.98 0.6435 2.4151 603.78 3 2 3 59.9 0.8 0.83 0.00 0.00 24 2.63
1 1 8 51.23 102.46 0.6413 2.4315 607.88 1 1 8 39.6 1.0 0.96 0.00 0.00 12 2.63
4 1 2 51.86 103.72 0.6357 2.4745 618.63 4 1 2 77.1 0.9 -0.95 0.00 180.00 24 2.62
2 2 6 52.51 105.03 0.6301 2.5185 629.64 2 2 6 37.6 0.9 -0.94 0.00 180.00 12 2.61
2 0 8 52.88 105.76 0.6271 2.5431 635.78 2 0 8 9.3 0.5 -0.46 0.00 180.00 12 2.61
4 0 5 53.80 107.59 0.6196 2.6045 651.14 4 0 5 26.9 0.8 -0.79 0.00 180.00 12 2.60
3 0 7 53.87 107.75 0.6190 2.6097 652.42 3 0 7 0.0 0.0 0.00 0.00 0.00 12 2.60
3 1 6 54.18 108.37 0.6166 2.6301 657.54 3 1 6 17.7 0.5 0.45 0.00 0.00 24 2.60
4 1 3 54.31 108.61 0.6157 2.6383 659.58 4 1 3 0.0 0.0 0.00 0.00 0.00 24 2.60
3 2 4 54.40 108.80 0.6149 2.6445 661.12 3 2 4 17.6 0.5 -0.45 0.00 180.00 24 2.60
1 0 9 56.25 112.50 0.6014 2.7653 691.32 1 0 9 24.9 0.8 -0.76 0.00 180.00 12 2.60
5 0 0 56.63 113.26 0.5987 2.7898 697.46 5 0 0 4.1 0.4 -0.44 0.00 180.00 6 2.61
5 0 1 57.14 114.29 0.5952 2.8226 705.65 5 0 1 24.3 0.8 0.75 0.00 0.00 12 2.61
4 1 4 57.86 115.71 0.5905 2.8677 716.92 4 1 4 63.5 0.9 0.86 0.00 0.00 24 2.62
2 1 8 58.02 116.04 0.5895 2.8779 719.48 2 1 8 15.8 0.4 -0.43 0.00 180.00 24 2.62
5 0 2 58.71 117.42 0.5851 2.9209 730.22 5 0 2 7.8 0.4 0.42 0.00 0.00 12 2.64
3 2 5 59.01 118.01 0.5833 2.9393 734.83 3 2 5 46.3 0.7 -0.73 0.00 180.00 24 2.64
4 0 6 59.42 118.85 0.5808 2.9649 741.23 4 0 6 7.6 0.4 0.42 0.00 0.00 12 2.65
3 3 0 60.22 120.43 0.5761 3.0130 753.26 3 3 0 15.0 0.8 0.83 0.00 0.00 6 2.67
3 1 7 60.94 121.87 0.5720 3.0560 764.01 3 1 7 44.5 0.7 -0.71 0.00 180.00 24 2.69
5 0 3 61.42 122.84 0.5694 3.0847 771.18 5 0 3 22.1 0.7 -0.70 0.00 180.00 12 2.71
2 0 9 61.68 123.37 0.5680 3.1001 775.02 2 0 9 22.0 0.7 0.70 0.00 0.00 12 2.72
3 0 8 61.70 123.40 0.5679 3.1011 775.27 3 0 8 29.3 0.8 0.81 0.00 0.00 12 2.72
4 2 0 62.11 124.22 0.5657 3.1246 781.16 4 2 0 7.3 0.4 -0.40 0.00 180.00 12 2.74
3 3 2 62.45 124.89 0.5640 3.1441 786.02 3 3 2 29.0 0.8 -0.80 0.00 180.00 12 2.75
4 2 1 62.68 125.36 0.5628 3.1574 789.35 4 2 1 43.4 0.7 0.69 0.00 0.00 24 2.76
4 1 5 62.77 125.54 0.5623 3.1625 790.63 4 1 5 0.0 0.0 0.00 0.00 0.00 24 2.76
4 2 2 64.45 128.89 0.5542 3.2557 813.92 4 2 2 14.2 0.4 0.39 0.00 0.00 24 2.85
0 0 10 64.82 129.65 0.5525 3.2762 819.04 0 0 10 4.7 0.8 -0.77 0.00 180.00 2 2.87
3 2 6 65.27 130.53 0.5505 3.2997 824.93 3 2 6 14.1 0.4 0.38 0.00 0.00 24 2.90
5 0 4 65.54 131.07 0.5493 3.3140 828.51 5 0 4 7.1 0.4 -0.38 0.00 180.00 12 2.91
1 0 10 66.97 133.94 0.5433 3.3878 846.94 1 0 10 7.0 0.4 0.38 0.00 0.00 12 3.02
4 0 7 67.03 134.06 0.5431 3.3908 847.71 4 0 7 21.1 0.7 0.65 0.00 0.00 12 3.02
4 2 3 67.61 135.21 0.5408 3.4195 854.87 4 2 3 42.3 0.6 -0.65 0.00 180.00 24 3.07
2 1 9 67.92 135.84 0.5396 3.4349 858.71 2 1 9 42.4 0.6 -0.64 0.00 180.00 24 3.10
2 2 8 67.94 135.88 0.5395 3.4359 858.97 2 2 8 28.2 0.7 0.74 0.00 0.00 12 3.10
5 1 0 68.43 136.86 0.5376 3.4594 864.85 5 1 0 7.1 0.4 -0.37 0.00 180.00 12 3.15
5 1 1 69.13 138.25 0.5351 3.4922 873.04 5 1 1 42.7 0.6 -0.64 0.00 180.00 24 3.21
4 1 6 69.80 139.59 0.5328 3.5229 880.72 4 1 6 57.4 0.7 -0.73 0.00 180.00 24 3.29
3 3 4 70.11 140.23 0.5317 3.5372 884.31 3 3 4 28.8 0.7 0.73 0.00 0.00 12 3.32
3 1 8 70.35 140.69 0.5309 3.5475 886.87 3 1 8 14.4 0.4 -0.36 0.00 180.00 24 3.35
5 1 2 71.34 142.68 0.5277 3.5905 897.61 5 1 2 14.7 0.4 0.36 0.00 0.00 24 3.48
5 0 5 71.78 143.56 0.5264 3.6089 902.22 5 0 5 22.2 0.6 0.62 0.00 0.00 12 3.54
1 1 10 71.83 143.66 0.5262 3.6110 902.74 1 1 10 29.7 0.7 -0.71 0.00 180.00 12 3.55
4 2 4 72.76 145.53 0.5235 3.6488 912.20 4 2 4 15.2 0.4 -0.35 0.00 180.00 24 3.70
3 0 9 73.00 146.00 0.5228 3.6580 914.51 3 0 9 0.0 0.0 0.00 0.00 0.00 12 3.74
2 0 10 74.73 149.46 0.5183 3.7225 930.64 2 0 10 8.1 0.3 0.35 0.00 0.00 12 4.08
3 2 7 74.82 149.63 0.5181 3.7256 931.40 3 2 7 48.5 0.6 0.60 0.00 0.00 24 4.10
5 1 3 75.65 151.30 0.5161 3.7543 938.57 5 1 3 50.1 0.6 0.59 0.00 0.00 24 4.30
4 0 8 80.12 160.24 0.5075 3.8823 970.56 4 0 8 10.9 0.3 -0.33 0.00 180.00 12 6.01
4 2 5 83.18 166.37 0.5036 3.9437 985.92 4 2 5 90.6 0.6 0.57 0.00 0.00 24 8.55
4 1 7 83.50 167.01 0.5032 3.9488 987.20 4 1 7 0.0 0.0 0.00 0.00 0.00 24 8.95
5 0 6 84.97 169.94 0.5019 3.9693 992.32 5 0 6 20.1 0.3 0.33 0.00 0.00 12 11.50
5 1 4 86.33 172.66 0.5010 3.9836 995.90 5 1 4 54.3 0.3 -0.32 0.00 180.00 24 15.68
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