Dalnegroite Bindi L, Nestola F, Guastoni A, Secco L Mineralogical Magazine 74 (2013) 999-1012 The crystal structure of dalnegroite, Tl5-xPb2x(As,Sb)21-xS34: a masterpiece of structural complexity Locality: Lengenbach quarry, Binntal, Canton Valais, Switzerland _database_code_amcsd 0020126 CELL PARAMETERS: 16.2180 42.5460 8.5800 95.700 90.180 96.380 SPACE GROUP: P1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 5853.936 Density (g/cm3): 4.760 MAX. ABS. INTENSITY / VOLUME**2: 17.58846665 RIR: 1.203 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 2.10 61.22 42.0693 0 1 0 1 4.20 16.95 21.0347 0 2 0 1 7.27 1.18 12.1526 1 2 0 1 8.41 19.27 10.5173 0 4 0 1 10.51 3.34 8.4139 0 5 0 1 10.98 3.87 8.0580 2 0 0 1 11.31 1.97 7.8231 -2 2 0 1 11.96 1.87 7.3997 1 -2 1 1 12.19 1.70 7.2581 2 2 0 1 12.25 14.77 7.2230 -1 -2 1 1 12.62 8.65 7.0116 0 6 0 1 12.68 2.23 6.9795 0 -4 1 1 13.07 13.99 6.7731 -2 4 0 1 13.51 1.95 6.5560 1 -4 1 1 14.14 7.75 6.2633 -1 -4 1 1 14.64 1.61 6.0504 -1 4 1 1 15.01 1.69 5.9022 -2 0 1 1 15.18 2.15 5.8359 2 -2 1 1 15.23 1.21 5.8183 2 0 1 1 15.44 1.00 5.7376 1 4 1 1 15.53 1.59 5.7062 0 -6 1 1 15.54 4.96 5.7015 -2 2 1 1 16.05 1.63 5.5225 1 -6 1 1 16.90 2.64 5.2460 -1 -6 1 1 17.13 2.43 5.1752 -2 4 1 1 17.39 1.20 5.0990 -2 7 0 1 17.67 5.36 5.0185 2 6 0 1 18.91 2.04 4.6924 0 -8 1 1 19.09 35.05 4.6485 -2 8 0 1 19.39 1.08 4.5781 2 7 0 1 19.48 5.91 4.5567 3 -2 1 1 20.03 2.42 4.4335 -3 -2 1 1 20.19 5.25 4.3980 -1 -8 1 1 20.81 4.74 4.2683 0 0 2 1 20.82 26.20 4.2673 0 -2 2 1 20.84 1.41 4.2617 -3 4 1 1 20.90 5.56 4.2505 -1 8 1 1 21.12 21.52 4.2069 0 10 0 1 21.18 1.68 4.1941 2 8 0 1 21.66 9.83 4.1037 0 2 2 1 21.67 7.77 4.1010 0 -4 2 1 21.96 4.10 4.0471 1 8 1 1 21.99 6.95 4.0416 -4 2 0 1 22.06 36.96 4.0290 4 0 0 1 22.54 2.93 3.9455 3 4 1 1 22.72 100.00 3.9134 -2 10 0 1 22.73 21.71 3.9115 -4 4 0 1 23.26 12.79 3.8237 0 4 2 1 23.29 25.78 3.8200 0 -6 2 1 23.44 1.68 3.7944 -2 0 2 1 23.51 47.23 3.7843 2 -2 2 1 23.73 4.26 3.7497 2 0 2 1 23.81 1.81 3.7376 -1 -10 1 1 23.98 1.46 3.7106 -2 2 2 1 24.05 16.14 3.6998 2 -4 2 1 24.21 46.37 3.6757 -4 6 0 1 24.32 1.31 3.6598 4 -2 1 1 24.45 2.17 3.6404 2 8 1 1 24.53 45.49 3.6290 4 4 0 1 24.57 1.38 3.6239 -1 10 1 1 24.65 25.59 3.6115 -2 -4 2 1 24.95 35.60 3.5689 2 10 0 1 24.97 2.44 3.5660 3 6 1 1 25.24 34.60 3.5285 -2 4 2 1 25.50 1.25 3.4936 0 6 2 1 26.17 1.44 3.4054 -2 -10 1 1 26.30 26.60 3.3892 -2 -6 2 1 26.32 16.20 3.3865 -4 8 0 1 26.51 4.13 3.3619 1 -12 1 1 26.57 23.01 3.3551 -2 12 0 1 26.73 9.00 3.3357 4 6 0 1 27.13 21.90 3.2874 -2 6 2 1 27.20 15.96 3.2780 2 -8 2 1 27.96 2.02 3.1906 2 10 1 1 28.22 14.89 3.1625 0 8 2 1 28.25 2.84 3.1588 0 -10 2 1 28.50 38.74 3.1316 -2 -8 2 1 28.53 21.76 3.1291 2 6 2 1 28.89 23.77 3.0906 2 12 0 1 28.92 9.47 3.0876 -4 10 0 1 29.40 8.08 3.0382 4 8 0 1 29.73 4.84 3.0050 0 14 0 1 29.87 4.53 2.9912 3 -12 1 1 30.16 1.17 2.9635 4 -10 1 1 30.29 16.13 2.9511 -4 0 2 1 30.38 53.22 2.9419 4 -2 2 1 30.46 2.88 2.9351 1 -14 1 1 30.56 4.66 2.9248 -2 14 0 1 30.64 24.63 2.9180 4 -4 2 1 31.16 3.04 2.8701 -2 -10 2 1 31.18 12.38 2.8688 2 8 2 1 31.30 1.00 2.8582 0 -2 3 1 31.35 1.73 2.8531 0 -12 2 1 31.38 60.19 2.8508 -4 4 2 1 31.49 1.13 2.8413 4 -6 2 1 31.59 24.48 2.8320 -4 -4 2 1 31.67 16.92 2.8251 4 2 2 1 31.70 2.44 2.8224 2 12 1 1 31.74 1.62 2.8190 0 -4 3 1 31.86 1.70 2.8091 -1 0 3 1 31.91 1.50 2.8048 -4 12 0 1 32.21 1.03 2.7788 5 -8 1 1 32.34 10.30 2.7680 -2 10 2 1 32.42 22.04 2.7613 2 -12 2 1 32.44 2.06 2.7597 -1 14 1 1 32.44 6.51 2.7595 4 10 0 1 32.78 21.74 2.7324 -4 6 2 1 32.82 2.74 2.7287 -3 -12 1 1 32.89 2.19 2.7235 4 -8 2 1 32.96 19.57 2.7177 2 14 0 1 33.07 2.37 2.7088 1 -6 3 1 33.08 2.00 2.7081 -5 8 1 1 33.08 37.55 2.7077 -4 -6 2 1 33.15 5.80 2.7026 -6 2 0 1 33.25 3.88 2.6945 2 -2 3 1 33.29 1.13 2.6914 3 -14 1 1 33.36 4.65 2.6860 6 0 0 1 33.51 2.11 2.6741 2 -4 3 1 33.55 3.67 2.6712 2 0 3 1 33.67 1.01 2.6618 -1 4 3 1 34.18 1.76 2.6230 -2 -12 2 1 34.19 17.77 2.6225 2 10 2 1 34.39 17.33 2.6077 -6 6 0 1 34.39 1.48 2.6075 2 2 3 1 34.68 19.52 2.5865 -2 16 0 1 34.74 33.32 2.5820 0 -14 2 1 35.12 20.62 2.5555 4 6 2 1 35.20 1.46 2.5495 -4 14 0 1 35.41 6.07 2.5353 6 4 0 1 35.57 3.00 2.5239 2 -14 2 1 35.61 2.41 2.5209 2 14 1 1 35.73 1.28 2.5129 -1 -16 1 1 35.77 1.01 2.5104 6 -6 1 1 35.79 9.09 2.5092 4 12 0 1 35.80 4.71 2.5085 -6 8 0 1 36.48 1.39 2.4628 5 8 1 1 36.99 1.39 2.4305 -4 10 2 1 37.10 4.61 2.4235 4 -12 2 1 37.14 3.80 2.4210 2 16 0 1 37.16 3.63 2.4194 6 6 0 1 37.45 1.53 2.4017 -4 -10 2 1 37.50 1.04 2.3986 2 12 2 1 37.50 22.72 2.3985 4 8 2 1 38.15 1.31 2.3588 3 4 3 1 38.37 2.36 2.3462 0 -16 2 1 38.52 3.06 2.3372 0 18 0 1 38.90 4.13 2.3151 -2 18 0 1 38.90 10.22 2.3150 -2 14 2 1 38.98 1.40 2.3105 2 -16 2 1 39.36 2.42 2.2890 4 14 0 1 39.38 2.98 2.2882 -6 0 2 1 39.55 5.43 2.2784 6 -4 2 1 39.64 1.25 2.2734 2 -12 3 1 39.67 1.86 2.2722 2 16 1 1 39.78 1.81 2.2659 4 -14 2 1 39.80 3.93 2.2646 -6 -2 2 1 39.93 4.37 2.2577 -6 12 0 1 39.97 1.05 2.2555 -6 4 2 1 40.70 2.45 2.2168 -6 -4 2 1 40.80 1.20 2.2116 6 2 2 1 40.96 1.25 2.2036 -3 -10 3 1 40.98 4.24 2.2025 -6 6 2 1 41.03 1.03 2.1996 -7 -2 1 1 41.05 14.08 2.1990 -2 -16 2 1 41.10 13.57 2.1960 6 -8 2 1 41.41 1.80 2.1803 2 18 0 1 41.88 4.82 2.1570 6 10 0 1 42.13 20.24 2.1447 0 16 2 1 42.14 3.05 2.1445 6 4 2 1 42.18 1.15 2.1425 0 -18 2 1 42.49 10.10 2.1277 -4 18 0 1 42.54 2.87 2.1252 -2 16 2 1 42.55 11.77 2.1247 6 -10 2 1 42.56 1.97 2.1243 -6 14 0 1 42.62 1.41 2.1215 2 -18 2 1 42.67 1.88 2.1190 -4 14 2 1 42.70 1.52 2.1175 -3 18 1 1 42.72 1.63 2.1164 5 -6 3 1 42.78 2.67 2.1139 4 -16 2 1 43.03 45.76 2.1022 0 2 4 1 43.14 1.72 2.0971 4 16 0 1 43.22 1.74 2.0934 -2 20 0 1 43.70 1.01 2.0713 2 -2 4 1 43.80 6.25 2.0669 -6 -8 2 1 43.88 1.30 2.0631 6 6 2 1 44.14 1.54 2.0518 0 4 4 1 44.17 2.57 2.0505 0 -8 4 1 44.27 7.51 2.0462 -6 10 2 1 44.34 2.06 2.0430 2 -6 4 1 44.40 4.38 2.0405 6 -12 2 1 44.71 7.16 2.0270 -8 2 0 1 44.74 1.78 2.0254 6 12 0 1 45.00 4.40 2.0145 8 0 0 1 45.31 10.51 2.0015 2 -8 4 1 45.43 4.90 1.9964 -8 6 0 1 45.49 8.60 1.9939 -6 16 0 1 45.93 1.03 1.9758 -6 -10 2 1 45.94 1.37 1.9756 -4 16 2 1 46.00 6.70 1.9731 -2 -8 4 1 46.04 3.38 1.9713 4 -18 2 1 46.16 2.21 1.9666 0 -20 2 1 46.36 1.55 1.9584 -2 18 2 1 46.41 1.36 1.9567 -4 20 0 1 46.43 1.84 1.9558 -8 8 0 1 46.44 1.04 1.9552 2 -20 2 1 46.48 8.99 1.9537 -6 12 2 1 46.48 1.35 1.9536 3 -16 3 1 46.69 1.61 1.9456 2 -10 4 1 46.86 3.59 1.9388 8 4 0 1 47.55 7.10 1.9122 0 22 0 1 47.60 2.26 1.9102 -2 -10 4 1 47.83 4.98 1.9018 -8 10 0 1 47.88 9.24 1.8997 6 14 0 1 47.99 5.91 1.8957 -4 -2 4 1 48.09 6.88 1.8922 4 -4 4 1 48.12 1.24 1.8910 4 -2 4 1 48.32 3.99 1.8834 -4 2 4 1 48.40 2.44 1.8806 -6 -12 2 1 48.44 1.35 1.8791 -4 -4 4 1 48.45 1.02 1.8790 2 -12 4 1 48.47 5.24 1.8781 6 10 2 1 48.68 1.32 1.8705 -1 -22 1 1 48.70 1.10 1.8699 -6 18 0 1 48.71 6.32 1.8693 2 18 2 1 48.73 1.07 1.8688 -2 -20 2 1 49.02 2.35 1.8581 -6 14 2 1 49.41 2.57 1.8447 4 2 4 1 49.44 1.44 1.8436 -4 18 2 1 49.54 3.08 1.8399 4 -20 2 1 49.58 3.45 1.8387 -2 -12 4 1 49.60 3.98 1.8378 -8 12 0 1 49.77 5.25 1.8319 -8 0 2 1 50.09 6.00 1.8210 -4 -18 2 1 50.17 1.45 1.8184 8 -6 2 1 50.24 2.62 1.8158 -8 -2 2 1 50.26 1.56 1.8155 2 22 0 1 50.44 2.29 1.8092 -2 10 4 1 50.56 4.67 1.8053 2 -14 4 1 51.11 6.76 1.7871 -8 -4 2 1 51.18 2.21 1.7850 -6 -14 2 1 51.22 5.24 1.7834 8 2 2 1 51.27 3.85 1.7818 6 16 0 1 51.72 1.31 1.7673 -8 14 0 1 51.82 2.58 1.7642 -4 8 4 1 51.88 1.17 1.7625 -8 8 2 1 51.88 1.35 1.7623 -2 -14 4 1 52.16 1.20 1.7536 -4 -10 4 1 52.24 2.63 1.7510 4 6 4 1 52.46 1.94 1.7442 8 4 2 1 52.88 4.45 1.7315 -2 12 4 1 53.07 1.13 1.7255 5 -22 1 1 53.15 1.78 1.7232 -4 20 2 1 53.25 1.07 1.7201 4 -22 2 1 53.72 1.31 1.7063 -4 10 4 1 54.06 3.47 1.6963 8 6 2 1 54.12 1.20 1.6946 -4 -12 4 1 54.28 1.36 1.6900 6 14 2 1 54.50 2.89 1.6838 2 12 4 1 54.57 4.57 1.6818 0 -24 2 1 54.60 3.20 1.6809 2 -24 2 1 54.68 1.09 1.6786 -6 -2 4 1 54.72 2.17 1.6776 6 -4 4 1 54.76 1.44 1.6762 -6 2 4 1 55.06 1.87 1.6678 8 12 0 1 55.45 4.36 1.6571 4 22 0 1 55.61 1.10 1.6528 -2 14 4 1 55.73 1.01 1.6494 2 -18 4 1 55.91 1.66 1.6446 -8 -10 2 1 56.11 2.42 1.6390 4 -16 4 1 56.82 1.35 1.6204 -10 4 0 1 56.91 1.41 1.6181 0 26 0 1 57.06 1.76 1.6142 -4 22 2 1 57.16 1.48 1.6115 4 -24 2 1 57.34 1.14 1.6068 -6 -8 4 1 57.39 2.82 1.6056 2 14 4 1 57.58 1.19 1.6008 6 16 2 1 57.67 1.87 1.5985 -6 8 4 1 57.78 1.48 1.5956 -4 -22 2 1 57.80 3.78 1.5953 4 20 2 1 58.17 1.31 1.5858 -8 -12 2 1 58.43 2.18 1.5794 0 -20 4 1 59.10 1.06 1.5633 -4 26 0 1 59.55 2.72 1.5525 6 -14 4 1 59.67 1.45 1.5495 -6 24 0 1 59.95 1.02 1.5430 8 -18 2 1 60.48 2.14 1.5308 -10 12 0 1 60.54 1.18 1.5293 2 16 4 1 60.85 3.35 1.5223 -6 -12 4 1 60.97 1.53 1.5196 6 8 4 1 61.16 2.95 1.5154 10 -4 2 1 61.74 3.57 1.5025 -10 6 2 1 61.87 1.19 1.4996 -2 18 4 1 61.89 1.74 1.4993 10 -8 2 1 62.70 1.86 1.4818 8 -20 2 1 63.08 1.47 1.4738 -6 -14 4 1 63.18 2.15 1.4716 -8 22 0 1 63.21 1.01 1.4709 8 -4 4 1 63.23 1.05 1.4706 -8 -2 4 1 63.30 1.63 1.4692 -2 26 2 1 63.50 1.66 1.4651 0 26 2 1 63.56 1.78 1.4638 -8 4 4 1 63.63 1.10 1.4624 -4 28 0 1 63.84 1.25 1.4581 -10 10 2 1 64.16 4.26 1.4516 10 10 0 1 64.41 1.48 1.4465 4 26 0 1 64.92 1.17 1.4364 8 2 4 1 64.99 1.63 1.4351 -4 -20 4 1 66.45 1.21 1.4070 -2 -4 6 1 66.70 1.16 1.4023 -8 -18 2 1 66.95 1.12 1.3977 2 0 6 1 67.70 1.32 1.3840 -4 20 4 1 68.86 1.23 1.3635 -8 22 2 1 70.06 2.04 1.3430 12 0 0 1 70.80 1.21 1.3309 -2 8 6 1 73.23 1.24 1.2925 0 24 4 1 74.41 1.21 1.2750 2 32 0 1 75.34 1.16 1.2614 6 -6 6 1 76.22 1.40 1.2491 -10 -8 4 1 77.13 1.24 1.2366 12 -14 2 1 80.57 1.25 1.1923 -12 16 2 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.