# TITLE *-Gd-[P63/MMC] Spedding, F.H.; Daane, A.H.; Herrmann, K.W[1956] # CELL 3.636000 3.636000 5.782600 90.000000 90.000000 120.000000 # SPCGRP P 63/M M C HEXAGONAL STRUCTURE # ATOM GD 1 0.333300 0.666700 0.250000 # SCATTERING FACTOR COEFFICIENTS: GD F= 0.510 CM-12 # Reference: Acta Crystallographica (1956) 9, 559-563 # # Physical parameters: # sigma_coh 29.3 coherent scattering cross section in [barn] # sigma_inc 151 incoherent scattering cross section in [barn] # sigma_abs 49700 absorption scattering cross section in [barn] # density 7.90 in [g/cm^3] # weight 157.25 in [g/mol] # nb_atoms 2 in [atoms/unit cell] # v_sound 2680 in [m/s] # T_m 1585 melting temperature in [K] # T_b 3523 boiling temperature in [K] # At_number 64 atomic number Z # lattice_a 3.6360 lattice parameter a in [Angs] # lattice_c 5.7826 lattice parameter c in [Angs] # lattice_cc 120 lattice angle gamma in [deg] # # 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 0 0 9.14 18.27 3.1489 0.1009 25.21 1 0 0 218.5 0.5 -0.50 0.00 180.00 6 40.17 0 0 2 9.96 19.92 2.8913 0.1196 29.91 0 0 2 243.9 1.0 -0.99 0.00 180.00 2 33.95 1 0 1 10.42 20.83 2.7654 0.1308 32.69 1 0 1 1000.0 0.9 -0.85 0.00 180.00 12 31.10 1 0 2 13.58 27.16 2.1297 0.2205 55.12 1 0 2 191.3 0.5 0.48 0.00 0.00 12 18.66 1 1 0 15.96 31.93 1.8180 0.3026 75.64 1 1 0 270.5 0.9 0.95 0.00 0.00 6 13.75 1 0 3 17.71 35.41 1.6440 0.3700 92.50 1 0 3 323.7 0.8 0.81 0.00 0.00 12 11.35 2 0 0 18.52 37.03 1.5744 0.4034 100.85 2 0 0 48.9 0.5 -0.46 0.00 180.00 6 10.46 1 1 2 18.96 37.92 1.5390 0.4222 105.55 1 1 2 371.2 0.9 -0.92 0.00 180.00 12 10.02 2 0 1 19.22 38.43 1.5191 0.4333 108.33 2 0 1 270.2 0.8 0.79 0.00 0.00 12 9.78 0 0 4 20.23 40.47 1.4456 0.4785 119.62 0 0 4 53.5 0.9 0.91 0.00 0.00 2 8.91 2 0 2 21.20 42.40 1.3827 0.5230 130.76 2 0 2 72.3 0.4 0.45 0.00 0.00 12 8.20 1 0 4 22.37 44.74 1.3138 0.5793 144.84 1 0 4 63.9 0.4 -0.44 0.00 180.00 12 7.47 2 0 3 24.21 48.42 1.2194 0.6726 168.14 2 0 3 159.9 0.7 -0.75 0.00 180.00 12 6.52 2 1 0 24.84 49.68 1.1902 0.7060 176.49 2 1 0 50.2 0.4 -0.43 0.00 180.00 12 6.24 2 1 1 25.40 50.80 1.1657 0.7359 183.97 2 1 1 285.9 0.7 -0.73 0.00 180.00 24 6.02 1 1 4 26.22 52.45 1.1315 0.7811 195.26 1 1 4 176.8 0.8 0.84 0.00 0.00 12 5.71 2 1 2 27.02 54.04 1.1006 0.8256 206.40 2 1 2 82.4 0.4 0.41 0.00 0.00 24 5.44 1 0 5 27.42 54.85 1.0856 0.8485 212.12 1 0 5 119.3 0.7 -0.71 0.00 180.00 12 5.31 2 0 4 28.01 56.01 1.0649 0.8819 220.48 2 0 4 37.8 0.4 -0.41 0.00 180.00 12 5.14 3 0 0 28.45 56.90 1.0496 0.9077 226.92 3 0 0 72.8 0.8 0.81 0.00 0.00 6 5.01 3 0 1 28.96 57.91 1.0327 0.9376 234.40 3 0 1 0.0 0.0 0.00 0.00 0.00 12 4.88 2 1 3 29.59 59.17 1.0127 0.9751 243.78 2 1 3 198.9 0.7 0.69 0.00 0.00 24 4.72 3 0 2 30.45 60.90 0.9866 1.0273 256.83 3 0 2 123.7 0.8 -0.79 0.00 180.00 12 4.52 0 0 6 31.25 62.50 0.9638 1.0766 269.15 0 0 6 19.4 0.8 -0.78 0.00 180.00 2 4.35 2 0 5 32.44 64.88 0.9321 1.1511 287.76 2 0 5 79.5 0.7 0.66 0.00 0.00 12 4.12 3 0 3 32.85 65.70 0.9218 1.1768 294.21 3 0 3 0.0 0.0 0.00 0.00 0.00 12 4.05 1 0 6 32.86 65.72 0.9216 1.1775 294.36 1 0 6 25.7 0.4 0.38 0.00 0.00 12 4.04 2 1 4 32.97 65.94 0.9188 1.1845 296.12 2 1 4 50.9 0.4 -0.38 0.00 180.00 24 4.03 2 2 0 33.37 66.74 0.9090 1.2102 302.56 2 2 0 49.4 0.8 0.75 0.00 0.00 6 3.96 3 1 0 34.93 69.85 0.8733 1.3111 327.77 3 1 0 22.1 0.4 -0.37 0.00 180.00 12 3.72 2 2 2 35.21 70.42 0.8672 1.3299 332.47 2 2 2 86.6 0.7 -0.73 0.00 180.00 12 3.68 3 1 1 35.38 70.76 0.8635 1.3410 335.25 3 1 1 128.4 0.6 0.63 0.00 0.00 24 3.66 1 1 6 35.96 71.92 0.8515 1.3792 344.79 1 1 6 82.3 0.7 -0.72 0.00 180.00 12 3.58 3 0 4 36.06 72.13 0.8494 1.3862 346.54 3 0 4 81.7 0.7 0.72 0.00 0.00 12 3.57 3 1 2 36.73 73.46 0.8360 1.4307 357.68 3 1 2 39.0 0.4 0.36 0.00 0.00 24 3.49 2 1 5 37.07 74.15 0.8294 1.4536 363.40 2 1 5 114.5 0.6 -0.61 0.00 180.00 24 3.45 2 0 6 37.47 74.93 0.8220 1.4800 370.00 2 0 6 18.6 0.4 0.35 0.00 0.00 12 3.41 1 0 7 38.74 77.47 0.7990 1.5662 391.56 1 0 7 51.4 0.6 0.60 0.00 0.00 12 3.27 3 1 3 38.94 77.88 0.7955 1.5802 395.06 3 1 3 101.4 0.6 -0.60 0.00 180.00 24 3.25 4 0 0 39.43 78.86 0.7872 1.6137 403.41 4 0 0 8.2 0.3 -0.34 0.00 180.00 6 3.21 4 0 1 39.87 79.73 0.7800 1.6436 410.89 4 0 1 47.8 0.6 -0.59 0.00 180.00 12 3.17 3 0 5 40.04 80.08 0.7772 1.6553 413.83 3 0 5 0.0 0.0 0.00 0.00 0.00 12 3.16 2 2 4 40.52 81.05 0.7695 1.6887 422.18 2 2 4 61.3 0.7 0.67 0.00 0.00 12 3.12 4 0 2 41.17 82.34 0.7596 1.7333 433.32 4 0 2 14.7 0.3 0.33 0.00 0.00 12 3.07 2 1 6 41.88 83.76 0.7490 1.7826 445.64 2 1 6 28.3 0.3 0.33 0.00 0.00 24 3.01 3 1 4 41.98 83.96 0.7475 1.7896 447.40 3 1 4 28.1 0.3 -0.33 0.00 180.00 24 3.01 2 0 7 43.12 86.24 0.7315 1.8688 467.20 2 0 7 39.5 0.6 -0.55 0.00 180.00 12 2.93 4 0 3 43.32 86.64 0.7288 1.8828 470.70 4 0 3 39.1 0.6 0.55 0.00 0.00 12 2.92 0 0 8 43.77 87.53 0.7228 1.9140 478.49 0 0 8 8.5 0.6 0.63 0.00 0.00 2 2.89 3 2 0 43.80 87.60 0.7224 1.9162 479.05 3 2 0 12.7 0.3 -0.32 0.00 180.00 12 2.89 3 2 1 44.23 88.46 0.7168 1.9461 486.53 3 2 1 74.4 0.5 -0.54 0.00 180.00 24 2.87 3 0 6 44.77 89.55 0.7099 1.9843 496.07 3 0 6 48.2 0.6 -0.62 0.00 180.00 12 2.84 1 0 8 45.21 90.42 0.7045 2.0148 503.70 1 0 8 11.8 0.3 -0.31 0.00 180.00 12 2.82 3 2 2 45.51 91.03 0.7009 2.0358 508.96 3 2 2 23.2 0.3 0.31 0.00 0.00 24 2.80 3 1 5 45.84 91.68 0.6969 2.0587 514.68 3 1 5 68.4 0.5 0.53 0.00 0.00 24 2.79 4 0 4 46.32 92.64 0.6914 2.0921 523.04 4 0 4 11.1 0.3 -0.30 0.00 180.00 12 2.77 4 1 0 46.69 93.38 0.6871 2.1179 529.48 4 1 0 43.7 0.6 0.60 0.00 0.00 12 2.75 4 1 1 47.12 94.24 0.6823 2.1478 536.96 4 1 1 0.0 0.0 0.00 0.00 0.00 24 2.74 2 1 7 47.46 94.91 0.6786 2.1714 542.84 2 1 7 63.2 0.5 0.51 0.00 0.00 24 2.72 3 2 3 47.66 95.32 0.6765 2.1854 546.34 3 2 3 62.6 0.5 0.51 0.00 0.00 24 2.72 1 1 8 48.11 96.22 0.6717 2.2165 554.13 1 1 8 40.8 0.6 0.59 0.00 0.00 12 2.70 4 1 2 48.41 96.82 0.6685 2.2375 559.39 4 1 2 80.5 0.6 -0.58 0.00 180.00 24 2.69 2 2 6 49.12 98.25 0.6613 2.2868 571.71 2 2 6 39.0 0.6 -0.58 0.00 180.00 12 2.67 2 0 8 49.57 99.13 0.6569 2.3174 579.34 2 0 8 9.6 0.3 -0.29 0.00 180.00 12 2.66 4 0 5 50.20 100.41 0.6508 2.3613 590.32 4 0 5 27.9 0.5 -0.49 0.00 180.00 12 2.65 3 0 7 50.38 100.75 0.6492 2.3731 593.26 3 0 7 0.0 0.0 0.00 0.00 0.00 12 2.64 4 1 3 50.58 101.16 0.6472 2.3871 596.77 4 1 3 0.0 0.0 0.00 0.00 0.00 24 2.64 3 1 6 50.59 101.18 0.6472 2.3877 596.93 3 1 6 18.3 0.3 0.28 0.00 0.00 24 2.64 3 2 4 50.69 101.38 0.6462 2.3947 598.68 3 2 4 18.2 0.3 -0.28 0.00 180.00 24 2.64 5 0 0 52.55 105.11 0.6298 2.5213 630.33 5 0 0 4.2 0.3 -0.27 0.00 180.00 6 2.61 1 0 9 52.58 105.17 0.6295 2.5232 630.80 1 0 9 25.4 0.5 -0.47 0.00 180.00 12 2.61 5 0 1 53.00 106.00 0.6261 2.5512 637.81 5 0 1 25.0 0.5 0.47 0.00 0.00 12 2.61 4 1 4 53.67 107.35 0.6206 2.5964 649.10 4 1 4 65.0 0.5 0.53 0.00 0.00 24 2.60 2 1 8 54.03 108.06 0.6178 2.6199 654.98 2 1 8 16.0 0.3 -0.26 0.00 180.00 24 2.60 5 0 2 54.35 108.69 0.6153 2.6410 660.24 5 0 2 7.9 0.3 0.26 0.00 0.00 12 2.60 3 2 5 54.69 109.39 0.6127 2.6639 665.96 3 2 5 47.1 0.5 -0.45 0.00 180.00 24 2.60 4 0 6 55.09 110.19 0.6097 2.6903 672.57 4 0 6 7.7 0.3 0.26 0.00 0.00 12 2.60 3 3 0 55.60 111.19 0.6060 2.7230 680.76 3 3 0 15.2 0.5 0.52 0.00 0.00 6 2.60 3 1 7 56.42 112.84 0.6001 2.7765 694.12 3 1 7 44.6 0.4 -0.44 0.00 180.00 24 2.60 5 0 3 56.64 113.28 0.5986 2.7905 697.62 5 0 3 22.2 0.4 -0.44 0.00 180.00 12 2.61 3 0 8 57.13 114.26 0.5953 2.8216 705.41 3 0 8 29.2 0.5 0.50 0.00 0.00 12 2.61 4 2 0 57.16 114.33 0.5951 2.8239 705.97 4 2 0 7.3 0.3 -0.25 0.00 180.00 12 2.61 2 0 9 57.19 114.39 0.5949 2.8258 706.44 2 0 9 21.8 0.4 0.44 0.00 0.00 12 2.61 3 3 2 57.46 114.92 0.5931 2.8427 710.67 3 3 2 28.9 0.5 -0.50 0.00 180.00 12 2.62 4 2 1 57.64 115.27 0.5920 2.8538 713.45 4 2 1 43.1 0.4 0.43 0.00 0.00 24 2.62 4 1 5 57.82 115.64 0.5907 2.8656 716.39 4 1 5 0.0 0.0 0.00 0.00 0.00 24 2.62 4 2 2 59.07 118.15 0.5829 2.9435 735.88 4 2 2 13.9 0.2 0.24 0.00 0.00 24 2.64 0 0 10 59.84 119.69 0.5783 2.9906 747.64 0 0 10 4.6 0.5 -0.48 0.00 180.00 2 2.66 3 2 6 59.88 119.76 0.5780 2.9928 748.21 3 2 6 13.6 0.2 0.24 0.00 0.00 24 2.66 5 0 4 60.00 119.99 0.5774 2.9998 749.96 5 0 4 6.8 0.2 -0.24 0.00 180.00 12 2.67 4 0 7 61.33 122.65 0.5699 3.0790 769.76 4 0 7 19.9 0.4 0.41 0.00 0.00 12 2.71 1 0 10 61.54 123.07 0.5687 3.0914 772.86 1 0 10 6.6 0.2 0.24 0.00 0.00 12 2.71 4 2 3 61.56 123.13 0.5686 3.0930 773.26 4 2 3 39.7 0.4 -0.41 0.00 180.00 24 2.72 2 2 8 62.10 124.20 0.5658 3.1242 781.05 2 2 8 26.3 0.5 0.47 0.00 0.00 12 2.74 5 1 0 62.14 124.28 0.5656 3.1265 781.61 5 1 0 6.6 0.2 -0.23 0.00 180.00 12 2.74 2 1 9 62.17 124.34 0.5654 3.1283 782.08 2 1 9 39.3 0.4 -0.40 0.00 180.00 24 2.74 5 1 1 62.66 125.32 0.5629 3.1564 789.09 5 1 1 39.1 0.4 -0.40 0.00 180.00 24 2.76 4 1 6 63.34 126.67 0.5595 3.1945 798.63 4 1 6 51.7 0.5 -0.46 0.00 180.00 24 2.79 3 3 4 63.46 126.92 0.5589 3.2015 800.38 3 3 4 25.8 0.5 0.46 0.00 0.00 12 2.80 3 1 8 63.89 127.77 0.5568 3.2251 806.26 3 1 8 12.9 0.2 -0.23 0.00 180.00 24 2.82 5 1 2 64.27 128.54 0.5550 3.2461 811.52 5 1 2 12.8 0.2 0.23 0.00 0.00 24 2.84 5 0 5 64.69 129.38 0.5531 3.2690 817.24 5 0 5 19.2 0.4 0.39 0.00 0.00 12 2.86 1 1 10 65.14 130.28 0.5511 3.2931 823.28 1 1 10 25.5 0.4 -0.45 0.00 180.00 12 2.89 4 2 4 65.32 130.63 0.5503 3.3024 825.60 4 2 4 12.7 0.2 -0.22 0.00 180.00 24 2.90 3 0 9 65.84 131.68 0.5480 3.3300 832.51 3 0 9 0.0 0.0 0.00 0.00 0.00 12 2.94 3 2 7 66.85 133.69 0.5438 3.3816 845.40 3 2 7 38.1 0.4 0.38 0.00 0.00 24 3.01 2 0 10 67.09 134.19 0.5428 3.3940 848.50 2 0 10 6.3 0.2 0.22 0.00 0.00 12 3.03 5 1 3 67.13 134.25 0.5427 3.3956 848.90 5 1 3 38.1 0.4 0.38 0.00 0.00 24 3.03 4 0 8 69.90 139.80 0.5324 3.5276 881.90 4 0 8 6.5 0.2 -0.21 0.00 180.00 12 3.30 4 2 5 70.90 141.79 0.5291 3.5715 892.89 4 2 5 39.4 0.4 0.36 0.00 0.00 24 3.42 4 1 7 71.17 142.34 0.5283 3.5833 895.83 4 1 7 0.0 0.0 0.00 0.00 0.00 24 3.46 5 0 6 71.52 143.03 0.5272 3.5979 899.49 5 0 6 6.6 0.2 0.21 0.00 0.00 12 3.51 5 1 4 71.68 143.37 0.5267 3.6049 901.24 5 1 4 13.3 0.2 -0.21 0.00 180.00 24 3.53 6 0 0 72.31 144.62 0.5248 3.6307 907.68 6 0 0 13.5 0.4 0.41 0.00 0.00 6 3.63 6 0 1 73.07 146.13 0.5227 3.6606 915.16 6 0 1 0.0 0.0 0.00 0.00 0.00 12 3.75 2 1 10 74.01 148.02 0.5201 3.6965 924.14 2 1 10 14.2 0.2 0.20 0.00 0.00 24 3.93 1 0 11 74.64 149.29 0.5185 3.7194 929.86 1 0 11 21.7 0.3 0.35 0.00 0.00 12 4.06 4 3 0 74.99 149.97 0.5177 3.7316 932.89 4 3 0 7.3 0.2 -0.20 0.00 180.00 12 4.14 3 1 9 75.04 150.08 0.5175 3.7335 933.36 3 1 9 44.1 0.3 0.35 0.00 0.00 24 4.15 6 0 2 75.53 151.07 0.5164 3.7503 937.59 6 0 2 30.0 0.4 -0.40 0.00 180.00 12 4.27 4 3 1 75.87 151.73 0.5156 3.7615 940.37 4 3 1 45.6 0.3 -0.34 0.00 180.00 24 4.35 3 3 6 77.07 154.14 0.5130 3.7996 949.91 3 3 6 32.2 0.4 -0.39 0.00 180.00 12 4.70 3 2 8 78.11 156.22 0.5110 3.8302 957.55 3 2 8 17.1 0.2 -0.20 0.00 180.00 24 5.07 4 3 2 78.88 157.76 0.5096 3.8512 962.80 4 3 2 18.0 0.2 0.19 0.00 0.00 24 5.39 5 1 5 79.78 159.56 0.5081 3.8741 968.53 5 1 5 57.6 0.3 -0.34 0.00 180.00 24 5.82 3 0 10 80.82 161.65 0.5065 3.8983 974.56 3 0 10 41.9 0.4 -0.38 0.00 180.00 12 6.43 6 0 3 80.90 161.79 0.5064 3.8999 974.97 6 0 3 0.0 0.0 0.00 0.00 0.00 12 6.48 4 2 6 80.93 161.85 0.5063 3.9005 975.13 4 2 6 21.2 0.2 0.19 0.00 0.00 24 6.50 5 2 0 82.58 165.16 0.5042 3.9333 983.32 5 2 0 50.4 0.4 0.38 0.00 0.00 12 7.87 5 2 1 84.50 168.99 0.5023 3.9632 990.80 5 2 1 0.0 0.0 0.00 0.00 0.00 24 10.52 5 0 7 86.70 173.39 0.5008 3.9867 996.68 5 0 7 81.4 0.3 -0.33 0.00 180.00 12 17.41