Rathite Berlepsch P, Armbruster T, Topa D Zeitschrift fur Kristallographie 217 (2002) 581-590 Structural and chemical variations in rathite, Pb8Pb4-x(Tl2As2)x(Ag2As2)As16S40: modulations of a parent structure Locality: Valais, Switzerland _database_code_amcsd 0011095 CELL PARAMETERS: 8.4960 7.9690 25.1220 90.000 100.704 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1671.280 Density (g/cm3): 5.207 MAX. ABS. INTENSITY / VOLUME**2: 25.62298768 RIR: 1.602 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.16 31.50 12.3424 0 0 2 2 10.60 2.51 8.3482 1 0 0 2 11.67 21.03 7.5836 0 1 1 4 13.22 18.83 6.6948 0 1 2 4 13.87 4.02 6.3863 1 0 2 2 14.35 1.90 6.1712 0 0 4 2 15.48 11.83 5.7244 0 1 3 4 16.20 5.09 5.4721 -1 0 4 2 16.23 2.96 5.4604 1 1 1 4 17.62 5.66 5.0342 -1 1 3 4 18.18 27.60 4.8792 0 1 4 4 19.91 1.61 4.4600 1 1 3 4 21.16 43.39 4.1978 -2 0 2 2 21.17 7.45 4.1968 0 1 5 4 21.29 14.93 4.1741 2 0 0 2 21.60 2.97 4.1141 0 0 6 2 22.24 14.59 3.9964 -1 0 6 2 22.31 27.77 3.9845 0 2 0 2 22.42 3.58 3.9664 1 1 4 4 23.41 6.94 3.8005 -2 0 4 2 23.46 61.98 3.7918 0 2 2 4 23.74 2.72 3.7484 2 0 2 2 24.07 2.08 3.6976 2 1 0 4 24.35 87.92 3.6557 0 1 6 4 24.72 25.21 3.6015 -2 1 3 4 24.73 11.33 3.5997 -1 2 1 4 24.83 19.62 3.5862 0 2 3 4 24.93 27.92 3.5717 2 1 1 4 25.86 1.09 3.4453 1 0 6 2 25.97 53.40 3.4304 -2 1 4 4 26.24 4.16 3.3962 -1 2 3 4 26.27 53.31 3.3919 2 1 2 4 26.63 12.14 3.3474 0 2 4 4 27.47 6.22 3.2471 -2 0 6 2 27.66 5.74 3.2251 -2 1 5 4 27.66 5.74 3.2248 0 1 7 4 27.86 1.79 3.2023 1 2 3 4 27.92 1.09 3.1961 -1 1 7 4 27.94 5.45 3.1932 2 0 4 2 28.04 4.81 3.1826 2 1 3 4 28.22 1.63 3.1624 1 1 6 4 28.79 49.38 3.1006 0 2 5 4 28.93 3.01 3.0867 -1 0 8 2 28.94 30.48 3.0856 0 0 8 2 29.71 54.97 3.0070 -2 1 6 4 30.15 81.16 2.9641 2 1 4 4 30.77 12.42 2.9060 -2 2 1 4 30.94 22.38 2.8899 -2 2 2 4 31.03 19.15 2.8822 2 2 0 4 31.07 9.15 2.8783 -1 1 8 4 31.08 40.65 2.8774 0 1 8 4 31.25 35.24 2.8622 0 2 6 4 31.55 2.52 2.8360 -2 2 3 4 31.72 2.43 2.8213 2 2 1 4 31.94 1.90 2.8019 1 2 5 4 32.06 11.49 2.7916 -2 1 7 4 32.56 14.93 2.7504 2 1 5 4 32.56 85.07 2.7501 -2 2 4 4 32.80 77.66 2.7302 2 2 2 4 33.61 1.11 2.6666 -3 1 2 4 33.67 6.11 2.6620 -3 1 1 4 33.94 2.77 2.6411 0 3 1 4 33.95 19.76 2.6409 -2 2 5 4 33.95 5.65 2.6407 0 2 7 4 34.13 12.27 2.6272 3 1 0 4 34.26 10.55 2.6174 2 2 3 4 34.36 2.12 2.6100 -1 1 9 4 34.54 17.43 2.5969 0 3 2 4 34.66 1.73 2.5878 -2 1 8 4 34.97 2.63 2.5655 3 1 1 4 35.46 1.03 2.5313 1 3 0 4 35.81 1.92 2.5076 -1 3 2 4 36.04 1.17 2.4917 2 2 4 4 36.18 1.20 2.4825 3 1 2 4 36.40 1.62 2.4685 0 0 10 2 36.84 7.02 2.4399 0 3 4 4 36.84 3.31 2.4396 0 2 8 4 37.73 1.06 2.3845 3 1 3 4 38.10 2.38 2.3620 1 1 9 4 38.17 10.07 2.3580 0 1 10 4 38.78 35.89 2.3221 -2 0 10 2 39.22 5.64 2.2969 1 3 4 4 39.41 31.94 2.2865 2 0 8 2 39.70 3.02 2.2701 -1 2 9 4 39.90 3.42 2.2592 0 2 9 4 39.97 1.95 2.2555 -2 2 8 4 40.17 8.75 2.2447 -2 3 2 4 40.24 9.60 2.2410 2 3 0 4 40.25 2.11 2.2407 3 2 1 4 40.42 22.52 2.2316 0 3 6 4 40.46 11.69 2.2294 -2 1 10 4 40.66 2.72 2.2191 -2 3 3 4 40.79 3.21 2.2121 2 3 1 4 41.07 12.21 2.1979 2 1 8 4 41.47 2.95 2.1772 -2 3 4 4 41.67 2.68 2.1673 2 3 2 4 41.82 2.51 2.1601 0 1 11 4 42.57 46.51 2.1237 -4 0 2 2 43.00 1.09 2.1037 1 3 6 4 43.05 1.14 2.1012 1 2 9 4 43.11 7.35 2.0984 0 2 10 4 43.36 1.65 2.0870 4 0 0 2 43.60 1.91 2.0759 -2 1 11 4 43.86 1.45 2.0642 -3 2 7 4 44.02 1.52 2.0571 0 0 12 2 44.04 5.53 2.0560 -2 3 6 4 44.23 4.19 2.0476 2 1 9 4 44.36 2.28 2.0423 -4 1 1 4 44.36 4.91 2.0421 2 3 4 4 44.90 2.42 2.0190 4 1 0 4 45.03 9.94 2.0131 0 3 8 4 45.20 4.19 2.0063 -2 2 10 4 45.39 1.59 1.9982 -2 0 12 2 45.53 1.96 1.9922 0 4 0 2 45.54 1.47 1.9918 0 1 12 4 45.75 2.59 1.9832 2 2 8 4 45.92 3.69 1.9761 -1 2 11 4 46.06 2.04 1.9704 2 0 10 2 46.15 9.43 1.9668 0 4 2 4 46.40 6.35 1.9569 -4 1 6 4 46.88 1.15 1.9378 1 4 0 4 46.89 1.95 1.9378 4 1 2 4 46.92 1.17 1.9363 0 4 3 4 47.66 9.98 1.9081 0 3 9 4 47.72 1.44 1.9060 -4 1 7 4 47.72 13.98 1.9059 -2 3 8 4 47.74 1.27 1.9052 -3 3 4 4 47.83 1.77 1.9019 1 4 2 4 47.99 4.61 1.8959 0 4 4 4 48.13 15.18 1.8904 2 3 6 4 48.31 1.40 1.8840 4 1 3 4 48.58 3.97 1.8741 -4 2 2 4 48.59 6.77 1.8737 -3 3 5 4 49.06 4.32 1.8570 -4 2 4 4 49.24 1.09 1.8505 -1 2 12 4 49.29 7.21 1.8488 4 2 0 4 49.30 9.79 1.8484 -4 1 8 4 49.73 2.83 1.8334 -3 3 6 4 49.89 10.21 1.8279 0 2 12 4 49.92 2.03 1.8270 -2 3 9 4 49.99 6.43 1.8244 4 1 4 4 50.08 3.86 1.8214 4 2 1 4 50.12 1.45 1.8201 3 3 3 4 50.27 4.17 1.8148 -2 1 13 4 50.38 3.06 1.8114 2 3 7 4 50.61 2.50 1.8037 -2 4 1 4 50.72 7.63 1.7998 -2 4 2 4 50.78 12.02 1.7980 2 4 0 4 50.96 7.51 1.7921 2 1 11 4 51.13 1.97 1.7866 -2 4 3 4 51.13 1.26 1.7864 -4 1 9 4 51.14 3.53 1.7862 -3 3 7 4 51.14 10.22 1.7862 -2 2 12 4 51.24 2.00 1.7830 -1 4 6 4 51.24 4.49 1.7829 2 4 1 4 51.76 12.44 1.7663 2 2 10 4 51.85 1.94 1.7634 -4 0 10 2 51.85 4.01 1.7632 0 0 14 2 51.93 2.94 1.7609 -4 2 7 4 52.33 1.21 1.7483 -2 3 10 4 52.45 1.28 1.7445 -2 0 14 2 52.48 5.90 1.7435 4 2 3 4 52.68 5.46 1.7376 -3 2 11 4 52.74 6.66 1.7357 4 0 6 2 52.99 1.13 1.7279 2 4 3 4 53.17 1.53 1.7227 2 0 12 2 53.20 3.30 1.7217 -4 1 10 4 53.21 10.74 1.7216 0 1 14 4 53.42 1.48 1.7152 -4 2 8 4 53.45 2.65 1.7142 0 3 11 4 54.07 3.75 1.6960 4 2 4 4 54.07 5.79 1.6960 4 1 6 4 54.85 1.13 1.6737 0 4 8 4 54.99 2.64 1.6699 2 2 11 4 55.00 1.25 1.6696 5 0 0 2 55.21 1.03 1.6638 1 0 14 2 55.47 1.32 1.6565 -4 3 3 4 55.48 1.73 1.6564 2 3 9 4 55.48 1.83 1.6563 -2 4 7 4 55.49 2.09 1.6560 -5 1 4 4 55.80 3.50 1.6476 2 4 5 4 55.82 4.05 1.6468 -4 3 4 4 55.97 1.52 1.6430 -5 1 5 4 56.04 2.93 1.6411 4 3 0 4 56.35 1.16 1.6328 -3 0 14 2 57.15 2.23 1.6117 0 1 15 4 57.20 1.10 1.6105 -2 4 8 4 57.33 1.04 1.6072 -4 3 6 4 57.56 1.42 1.6012 2 4 6 4 57.69 2.10 1.5981 -2 2 14 4 57.69 1.45 1.5979 -5 0 8 2 57.74 1.15 1.5966 4 3 2 4 57.97 1.39 1.5910 -3 4 5 4 57.97 1.21 1.5909 -4 1 12 4 58.36 1.67 1.5812 2 2 12 4 58.99 1.85 1.5658 -1 5 1 4 59.00 2.15 1.5655 4 1 8 4 59.15 1.04 1.5621 -2 4 9 4 59.27 1.11 1.5590 1 5 1 4 59.55 1.13 1.5523 2 4 7 4 59.64 6.59 1.5503 0 4 10 4 59.84 4.59 1.5455 -4 3 8 4 59.94 11.09 1.5432 0 5 4 4 60.45 5.23 1.5314 4 3 4 4 61.10 1.05 1.5167 0 5 5 4 61.17 1.90 1.5152 -2 1 16 4 61.69 2.33 1.5035 -4 2 12 4 61.76 1.53 1.5021 2 4 8 4 62.16 3.00 1.4933 -5 1 10 4 62.69 2.00 1.4820 4 2 8 4 63.26 2.72 1.4700 -3 0 16 2 63.30 3.06 1.4691 -4 3 10 4 63.31 1.04 1.4690 0 3 14 4 64.09 1.49 1.4530 4 3 6 4 64.09 1.09 1.4530 -4 4 2 4 64.49 2.65 1.4450 -4 4 4 4 64.68 2.19 1.4411 4 4 0 4 65.19 1.61 1.4311 0 4 12 4 65.21 3.01 1.4307 -2 5 6 4 65.45 1.54 1.4260 2 5 4 4 65.87 1.38 1.4180 -4 4 6 4 66.23 3.12 1.4111 4 3 7 4 66.24 2.28 1.4108 -2 4 12 4 66.25 1.33 1.4107 4 4 2 4 66.77 1.50 1.4010 2 4 10 4 67.05 2.73 1.3958 -4 2 14 4 68.03 1.50 1.3782 -6 1 6 4 68.08 2.61 1.3772 -2 5 8 4 68.19 2.59 1.3752 4 2 10 4 68.41 2.59 1.3713 2 5 6 4 68.45 2.13 1.3706 6 1 0 4 68.60 1.43 1.3680 -4 0 16 2 69.01 3.76 1.3609 -2 1 18 4 69.56 2.34 1.3515 0 1 18 4 69.75 1.39 1.3483 -4 1 16 4 69.80 2.20 1.3474 -6 1 8 4 69.81 5.20 1.3472 2 1 16 4 69.92 1.14 1.3454 4 0 12 2 70.50 3.34 1.3357 6 1 2 4 70.58 2.67 1.3345 -2 3 16 4 70.60 2.74 1.3341 0 3 16 4 70.65 1.40 1.3333 -6 2 4 4 70.79 1.03 1.3310 -6 2 2 4 71.06 3.86 1.3267 4 1 12 4 71.28 3.07 1.3231 2 3 14 4 71.46 2.40 1.3202 -6 2 6 4 71.84 1.04 1.3141 -2 5 10 4 71.87 2.19 1.3136 6 2 0 4 71.94 1.06 1.3125 -2 4 14 4 72.26 1.20 1.3075 2 5 8 4 72.54 1.05 1.3031 2 4 12 4 75.01 2.23 1.2663 -2 6 2 4 75.05 2.90 1.2656 2 6 0 4 75.55 1.16 1.2586 -4 4 12 4 76.09 2.41 1.2509 -4 5 6 4 76.19 1.01 1.2495 6 0 6 2 76.45 3.59 1.2459 4 5 2 4 76.45 2.10 1.2459 4 4 8 4 77.38 1.22 1.2333 -2 1 20 4 78.23 1.01 1.2219 2 1 18 4 81.31 1.34 1.1833 -6 3 10 4 81.86 1.26 1.1767 -2 5 14 4 82.25 1.67 1.1722 6 3 4 4 82.44 1.36 1.1699 2 5 12 4 82.47 1.38 1.1696 0 6 10 4 83.75 1.12 1.1549 -6 2 14 4 84.01 1.19 1.1521 -6 4 2 4 85.21 1.62 1.1388 6 2 8 4 85.36 1.15 1.1372 -4 3 18 4 86.77 1.01 1.1223 4 3 14 4 87.04 1.58 1.1195 0 7 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.