Protochabourneite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140583 Orlandi P, Biagioni C, Moelo Y, Bonaccorsi E, Paar W H The Canadian Mineralogist 51 (2013) 475-494 Lead-antimony sulfosalts from Tuscany (Italy). XIII. Protochabourneite, ~Tl2Pb(Sb9-8As1-2)S10S17, from the Monte Arsiccio mine: occurrence, crystal structure, and relationship with chabourneite Locality: Monte Arsiccio mine, Apuan Alps, Tuscany, Italy _database_code_amcsd 0020049 CELL PARAMETERS: 8.1110 8.6700 21.4990 85.120 96.390 88.760 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Tl 0.46570 0.59780 0.18388 1.000 5.543 Tl 0.45170 0.09910 0.18031 0.700 5.527 Pb 0.45170 0.09910 0.18031 0.300 5.527 Pb 0.01010 0.09270 0.27277 1.000 4.611 Sb 0.03570 0.77900 0.47663 0.900 3.206 As 0.03570 0.77900 0.47663 0.100 3.206 Sb 0.30070 0.48030 0.43880 1.000 2.898 Sb 0.63560 0.77760 0.37853 1.000 3.064 Sb 0.68520 0.10850 0.02106 1.000 3.000 Sb 0.34250 0.05070 0.42918 1.000 3.221 Sb 0.66210 0.30670 0.36511 1.000 3.190 Sb 0.10400 0.36170 0.11215 1.000 3.119 Sb 0.94730 0.59060 0.26960 0.700 3.671 Pb 0.99090 0.59620 0.27980 0.300 3.671 Sb 0.02630 0.86170 0.12617 0.550 3.119 As 0.02630 0.86170 0.12617 0.450 3.119 Sb 0.29520 0.37040 -0.00011 0.650 3.000 As 0.29520 0.37040 -0.00011 0.350 3.000 S -0.14430 0.58120 0.42580 1.000 2.921 S 0.13000 0.25260 0.39840 1.000 2.724 S -0.13280 0.64110 0.15710 1.000 3.190 S 0.17550 0.84420 0.38060 1.000 3.040 S -0.17910 0.97540 0.44500 1.000 3.387 S 0.55760 0.33280 0.06630 1.000 3.079 S 0.47240 0.10270 0.32960 1.000 3.064 S 0.75240 0.35870 0.25900 1.000 3.379 S 0.16510 0.16380 0.05670 1.000 3.450 S 0.44750 0.51960 0.34110 1.000 2.763 S -0.15000 0.06490 0.15150 1.000 2.992 S 0.18950 0.56150 0.06060 1.000 3.277 S 0.54010 0.89070 0.07000 1.000 3.064 S 0.51240 0.30160 0.49140 1.000 2.811 S 0.74140 0.81130 0.27700 1.000 3.261 S 0.18320 0.33220 0.21200 1.000 3.206 S 0.20290 0.84700 0.22150 1.000 4.256 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 19 MAX. ABS. INTENSITY / VOLUME**2: 16.79270495 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.31 6.24 10.6412 0 0 2 10.25 2.23 8.6343 0 1 0 10.71 2.05 8.2582 0 1 1 10.98 1.72 8.0566 1 0 0 11.39 2.07 7.7663 0 -1 1 12.18 6.94 7.2665 1 0 1 12.48 10.46 7.0942 0 0 3 12.62 2.31 7.0138 0 1 2 14.52 30.41 6.0986 1 0 2 14.80 2.81 5.9851 1 1 0 15.28 12.53 5.8003 -1 1 0 15.28 1.07 5.7970 -1 -1 1 15.47 3.01 5.7269 1 1 1 15.68 9.80 5.6522 -1 0 3 16.34 9.15 5.4242 -1 1 2 16.40 2.48 5.4063 1 -1 1 16.83 8.46 5.2694 -1 -1 2 17.57 2.96 5.0475 1 0 3 18.34 2.04 4.8369 -1 1 3 18.42 1.48 4.8157 1 -1 2 18.80 3.92 4.7190 0 1 4 19.18 10.14 4.6281 -1 -1 3 19.63 8.81 4.5228 1 1 3 20.36 6.64 4.3614 0 -1 4 20.57 2.18 4.3172 0 2 0 20.63 15.00 4.3055 0 2 1 20.87 15.17 4.2565 0 0 5 21.01 1.91 4.2290 -1 1 4 21.03 58.45 4.2247 1 0 4 21.36 32.27 4.1602 0 -2 1 21.52 7.65 4.1291 0 2 2 21.99 1.02 4.0428 -2 0 1 22.07 24.62 4.0283 2 0 0 22.09 3.39 4.0234 -1 -1 4 22.49 57.30 3.9536 -1 0 5 22.70 49.48 3.9176 -2 0 2 23.16 14.24 3.8412 0 2 3 23.34 6.33 3.8105 1 2 1 23.55 13.64 3.7782 -1 -2 1 23.69 5.99 3.7565 -1 2 0 24.08 2.88 3.6957 -1 2 2 24.14 5.34 3.6874 -2 0 3 24.17 4.02 3.6823 -2 -1 1 24.24 2.27 3.6716 1 -1 4 24.36 67.03 3.6539 1 2 2 24.45 3.99 3.6407 -2 1 1 24.50 31.50 3.6333 2 0 2 24.59 32.22 3.6199 1 -2 1 24.68 5.29 3.6074 -2 1 0 24.73 2.16 3.6007 2 1 1 24.74 100.00 3.5985 1 0 5 24.75 46.19 3.5975 -1 -2 2 25.07 35.84 3.5517 0 -2 3 25.35 44.99 3.5134 -1 2 3 25.39 4.26 3.5076 -1 -1 5 25.40 12.79 3.5069 0 2 4 25.61 1.14 3.4782 2 -1 1 26.03 15.60 3.4230 1 2 3 26.05 2.68 3.4210 2 1 2 26.16 28.73 3.4064 1 -2 2 26.19 27.89 3.4030 -2 0 4 26.28 48.76 3.3915 -1 0 6 26.31 1.10 3.3875 0 1 6 26.44 9.17 3.3705 -2 -1 3 26.58 8.45 3.3539 -1 -2 3 26.66 48.92 3.3437 2 0 3 27.23 50.64 3.2751 -1 2 4 27.57 1.43 3.2358 -1 1 6 27.96 3.06 3.1915 2 1 3 28.25 5.19 3.1589 1 2 4 28.29 2.20 3.1550 1 -2 3 28.48 4.18 3.1343 -2 -1 4 28.63 9.12 3.1184 1 0 6 28.73 22.92 3.1073 -2 0 5 28.92 27.42 3.0869 -1 -2 4 28.96 8.53 3.0832 -1 -1 6 29.29 16.70 3.0493 2 0 4 29.38 9.74 3.0404 0 0 7 29.61 27.19 3.0171 -1 2 5 29.86 21.45 2.9925 2 2 0 30.06 4.43 2.9730 -2 -2 1 30.22 19.66 2.9577 -1 0 7 30.26 1.04 2.9539 2 2 1 30.52 27.24 2.9294 -2 2 1 30.77 4.17 2.9058 0 -2 5 30.79 3.31 2.9039 -2 2 2 30.83 13.89 2.9002 -2 2 0 30.85 19.96 2.8985 -2 -2 2 30.87 12.36 2.8969 1 -2 4 30.91 12.68 2.8929 1 2 5 31.19 3.39 2.8673 0 2 6 31.23 4.58 2.8639 -1 1 7 31.24 52.81 2.8634 2 2 2 31.64 38.25 2.8277 -2 2 3 31.66 15.72 2.8261 -2 0 6 31.69 10.07 2.8238 -1 -2 5 31.72 84.81 2.8209 2 -2 1 31.74 3.44 2.8194 0 -3 1 32.19 65.09 2.7806 -2 -2 3 32.29 6.98 2.7728 2 0 5 32.64 6.27 2.7435 1 0 7 32.71 1.70 2.7377 1 3 0 32.72 18.11 2.7366 -1 -1 7 32.75 32.07 2.7345 2 2 3 32.79 5.56 2.7310 1 3 1 32.95 1.10 2.7186 0 -3 2 33.03 36.20 2.7121 -2 2 4 33.14 1.57 2.7032 -1 3 1 33.14 21.41 2.7031 2 -2 2 33.36 6.51 2.6855 3 0 0 33.37 1.23 2.6855 1 1 7 33.43 7.39 2.6808 1 3 2 33.47 12.92 2.6770 -3 0 2 33.81 3.60 2.6512 1 -2 5 34.03 6.71 2.6347 -2 -2 4 34.12 16.08 2.6276 3 0 1 34.28 6.85 2.6162 -1 0 8 34.34 10.79 2.6117 -3 0 3 34.57 1.34 2.5946 -3 -1 1 34.58 6.59 2.5938 1 3 3 34.73 12.74 2.5827 2 2 4 34.75 4.10 2.5813 2 -1 5 34.89 10.18 2.5712 -2 0 7 34.99 1.94 2.5645 -3 1 1 35.04 3.69 2.5611 2 -2 3 35.19 1.01 2.5504 -3 1 2 35.31 4.07 2.5418 -3 1 0 35.90 2.99 2.5018 -2 1 7 35.94 1.59 2.4986 -3 -1 3 36.22 2.28 2.4804 1 3 4 36.41 3.70 2.4677 3 1 2 36.64 2.92 2.4523 -1 -1 8 36.76 22.32 2.4448 1 0 8 37.04 9.29 2.4268 1 -2 6 37.11 2.18 2.4227 -3 1 4 37.12 11.74 2.4222 3 0 3 37.21 16.47 2.4162 1 2 7 37.46 1.49 2.4009 3 -1 2 37.51 3.57 2.3975 -3 0 5 37.66 40.20 2.3887 0 -2 7 38.05 2.66 2.3647 0 0 9 38.14 52.94 2.3595 0 2 8 38.37 3.21 2.3458 -2 0 8 38.44 6.62 2.3420 -1 0 9 38.51 1.09 2.3379 0 3 6 38.86 2.19 2.3172 -1 2 8 38.94 1.45 2.3132 3 2 0 39.09 3.43 2.3042 2 0 7 39.26 5.68 2.2949 3 0 4 39.30 1.40 2.2924 0 -3 5 39.62 1.11 2.2748 2 1 7 39.73 3.66 2.2687 -3 0 6 39.78 1.84 2.2658 -3 2 2 39.99 1.81 2.2545 3 1 4 40.33 1.12 2.2365 -3 2 3 40.40 1.90 2.2328 -3 -2 3 40.43 1.31 2.2312 0 -1 9 40.44 1.66 2.2305 -2 -1 8 40.52 9.75 2.2264 1 -2 7 40.70 2.83 2.2170 -1 -1 9 40.74 2.07 2.2150 1 2 8 40.82 6.96 2.2104 -3 1 6 40.98 4.01 2.2024 1 0 9 41.68 1.57 2.1671 3 2 3 41.68 61.58 2.1668 0 4 1 41.71 16.22 2.1653 -1 -2 8 41.78 5.88 2.1618 -3 -2 4 41.85 11.02 2.1586 0 4 0 41.91 6.43 2.1555 0 2 9 41.92 1.04 2.1550 -2 3 5 41.97 5.80 2.1527 0 4 2 42.30 12.97 2.1368 -3 0 7 42.36 2.43 2.1338 3 1 5 42.45 14.67 2.1295 -1 2 9 42.72 3.32 2.1166 -2 1 9 42.75 2.62 2.1154 -3 2 5 42.86 1.55 2.1100 0 1 10 42.90 1.43 2.1083 2 2 7 43.42 2.01 2.0841 1 4 2 43.44 1.07 2.0831 3 2 4 43.50 1.25 2.0806 2 3 5 43.51 1.76 2.0801 0 -4 2 44.03 1.33 2.0566 -3 -1 7 44.48 1.11 2.0370 1 -4 1 44.56 3.97 2.0334 -3 2 6 44.84 3.79 2.0214 -4 0 2 44.87 2.74 2.0202 -1 -1 10 45.01 1.40 2.0142 4 0 0 45.07 1.69 2.0117 -2 -2 8 45.17 6.46 2.0074 -3 0 8 45.29 1.87 2.0023 1 0 10 45.46 2.20 1.9950 3 3 0 45.48 1.67 1.9944 -1 -2 9 45.57 13.58 1.9906 3 2 5 45.61 1.18 1.9890 1 -4 2 45.73 3.35 1.9842 4 0 1 45.73 6.66 1.9841 -3 -2 6 45.96 1.43 1.9747 -4 -1 2 45.97 8.00 1.9740 3 -2 4 46.08 1.28 1.9697 -2 -3 6 46.24 1.67 1.9631 -4 1 1 46.35 4.62 1.9588 -4 0 4 46.51 1.06 1.9526 3 3 2 46.58 2.23 1.9498 -1 4 5 46.59 1.86 1.9494 -4 -1 3 46.70 16.95 1.9451 2 0 9 46.73 5.17 1.9438 -3 2 7 46.79 1.51 1.9416 0 -4 4 46.91 1.72 1.9370 -3 -1 8 46.96 9.84 1.9348 0 0 11 47.03 7.52 1.9323 -3 -3 3 47.04 1.99 1.9318 -1 0 11 47.13 7.40 1.9281 1 -4 3 47.14 3.82 1.9280 2 4 0 47.23 1.22 1.9244 2 4 1 47.33 1.10 1.9206 0 4 6 47.39 1.59 1.9182 -1 -4 4 47.45 2.88 1.9160 -2 -4 1 47.66 1.85 1.9081 3 0 7 47.74 1.61 1.9053 2 4 2 47.82 1.82 1.9020 1 -3 7 48.03 6.99 1.8942 3 2 6 48.05 1.69 1.8937 1 -2 9 48.08 1.04 1.8926 -2 4 1 48.09 1.13 1.8921 -2 4 2 48.17 1.61 1.8891 -2 -4 2 48.34 4.85 1.8827 1 2 10 48.35 8.77 1.8825 -1 4 6 48.35 2.81 1.8825 -3 -3 4 48.36 3.72 1.8822 4 0 3 48.37 19.35 1.8819 3 -2 5 48.47 1.08 1.8782 -2 4 0 48.50 2.99 1.8768 -2 4 3 48.51 5.38 1.8768 -2 -2 9 48.59 1.71 1.8736 4 -1 2 48.64 2.98 1.8721 2 4 3 48.83 1.15 1.8652 -4 1 5 48.92 2.15 1.8619 -3 3 5 49.02 2.89 1.8583 1 -4 4 49.06 1.41 1.8568 3 -3 2 49.13 15.00 1.8543 1 4 6 49.16 1.19 1.8535 0 -1 11 49.22 9.20 1.8514 -4 -2 1 49.23 6.75 1.8509 -3 2 8 49.32 7.51 1.8477 4 2 0 49.38 3.77 1.8455 0 -2 10 49.42 7.93 1.8442 -2 2 10 49.43 12.81 1.8438 -1 -4 5 49.43 4.47 1.8437 -4 0 6 49.51 1.96 1.8412 -4 -2 2 49.59 1.23 1.8381 0 4 7 49.66 1.46 1.8358 2 -2 8 49.92 4.78 1.8269 2 4 4 49.92 10.44 1.8269 -2 0 11 49.93 2.40 1.8266 0 2 11 50.04 8.83 1.8229 -3 -3 5 50.11 4.18 1.8204 -4 2 2 50.16 7.21 1.8186 -4 2 1 50.22 6.31 1.8166 4 0 4 50.33 1.11 1.8128 -2 1 11 50.42 6.75 1.8099 2 -4 2 50.44 2.90 1.8093 -4 1 6 50.45 6.96 1.8089 -4 2 3 50.61 1.79 1.8037 -4 2 0 50.65 1.15 1.8021 3 -3 3 50.79 6.90 1.7976 3 2 7 50.99 1.65 1.7911 -3 -2 8 50.99 4.68 1.7910 3 0 8 51.06 2.70 1.7887 3 -2 6 51.16 2.94 1.7853 1 -3 8 51.17 4.46 1.7850 -4 2 4 51.24 1.96 1.7828 1 -4 5 51.26 1.19 1.7824 3 1 8 51.49 1.65 1.7749 -1 0 12 51.50 1.54 1.7744 -1 3 10 51.70 1.67 1.7682 0 1 12 51.71 6.62 1.7677 -2 -3 8 51.95 2.56 1.7601 2 -4 3 52.06 5.04 1.7567 -2 4 6 52.06 3.13 1.7567 1 -2 10 52.15 1.67 1.7538 -2 -2 10 52.16 1.19 1.7534 0 4 8 52.38 1.51 1.7468 -3 3 7 52.39 2.20 1.7464 1 2 11 52.42 4.12 1.7456 4 0 5 52.89 3.33 1.7312 -1 4 8 52.92 1.24 1.7301 -4 -1 7 53.33 1.03 1.7180 2 -2 9 53.41 3.35 1.7156 2 2 10 53.50 1.53 1.7127 -1 -2 11 53.73 1.75 1.7061 -4 2 6 53.81 1.20 1.7037 -3 -4 1 53.96 3.00 1.6994 -2 4 7 54.07 2.26 1.6960 1 4 8 54.20 1.25 1.6922 1 0 12 54.35 2.47 1.6879 -3 -4 2 54.38 3.87 1.6870 -1 5 1 54.40 3.23 1.6866 3 4 2 54.43 1.21 1.6858 -1 5 2 54.45 1.79 1.6851 -1 -4 7 54.55 1.23 1.6824 -2 3 10 54.71 1.24 1.6777 -1 5 0 54.73 2.25 1.6773 1 -3 9 54.80 2.14 1.6751 4 3 0 54.92 6.78 1.6718 4 0 6 54.93 1.37 1.6715 2 0 11 54.98 3.18 1.6701 -3 4 1 55.09 1.09 1.6672 -1 3 11 55.15 4.97 1.6654 -3 4 3 55.27 1.16 1.6621 -1 -5 2 55.28 3.26 1.6619 -3 0 11 55.78 1.37 1.6480 -3 4 4 56.02 1.13 1.6416 2 -4 5 56.17 4.02 1.6376 -2 4 8 56.19 2.11 1.6371 0 0 13 56.21 1.05 1.6365 -4 3 3 56.58 3.93 1.6267 1 -4 7 56.61 3.90 1.6258 3 4 4 56.91 2.64 1.6179 -2 2 12 56.97 1.69 1.6166 1 4 9 57.02 1.70 1.6152 -3 -1 11 57.03 1.32 1.6148 1 3 11 57.18 3.12 1.6110 2 -2 10 57.31 1.51 1.6077 2 2 11 57.68 1.06 1.5981 -5 -1 2 57.70 1.30 1.5977 4 0 7 57.88 1.98 1.5932 5 0 1 57.89 1.80 1.5930 5 1 0 57.93 5.26 1.5920 0 -2 12 58.00 1.19 1.5903 -1 -5 4 58.12 1.99 1.5873 -3 -4 5 58.12 5.97 1.5873 -5 -1 3 58.32 1.46 1.5822 -4 -3 5 58.39 2.48 1.5806 -2 0 13 58.45 1.26 1.5791 -2 -5 2 58.49 1.13 1.5780 1 -3 10 58.51 4.10 1.5775 0 2 13 58.59 1.55 1.5756 -1 4 10 58.94 5.03 1.5670 -5 0 5 58.94 1.76 1.5670 5 0 2 58.95 1.27 1.5667 3 -4 3 59.50 1.14 1.5536 -4 0 10 59.65 3.31 1.5501 1 -4 8 59.85 2.57 1.5453 -1 -5 5 60.55 1.60 1.5291 1 -2 12 60.82 1.54 1.5231 -3 -1 12 60.94 4.13 1.5203 1 2 13 61.38 1.20 1.5103 2 2 12 61.48 1.56 1.5083 0 4 11 61.74 3.30 1.5025 -3 4 8 62.01 2.84 1.4965 -1 -5 6 62.13 1.05 1.4939 -1 -2 13 62.25 2.82 1.4913 -3 -4 7 63.21 1.29 1.4710 -4 -4 3 63.34 1.85 1.4684 5 2 3 64.09 2.36 1.4529 0 -4 10 64.09 2.27 1.4529 5 -2 2 64.23 1.76 1.4501 -4 4 0 64.27 1.53 1.4493 -5 2 6 64.31 1.89 1.4485 2 -4 8 64.41 1.30 1.4466 3 5 3 64.41 3.58 1.4465 2 4 10 64.64 1.35 1.4419 -5 -2 6 65.06 1.18 1.4336 0 4 12 65.29 1.73 1.4291 -1 4 12 65.44 2.15 1.4262 2 -2 12 65.49 1.27 1.4253 -1 1 15 65.64 1.26 1.4223 2 2 13 65.66 1.03 1.4220 -4 -4 5 66.03 3.26 1.4150 1 6 3 66.19 1.94 1.4119 -2 -4 10 66.26 2.14 1.4105 4 -4 2 66.31 1.39 1.4097 0 -6 2 66.38 1.25 1.4082 3 0 12 66.92 1.38 1.3981 3 5 5 67.03 1.19 1.3962 1 -6 1 67.47 1.69 1.3881 -1 2 15 67.76 1.29 1.3830 4 -4 3 67.76 1.06 1.3830 -4 -2 11 67.81 4.03 1.3821 -1 6 5 67.81 1.28 1.3820 -2 4 12 68.06 1.03 1.3776 3 -4 7 68.43 1.51 1.3710 1 0 15 68.53 1.36 1.3692 -5 -2 8 68.92 1.23 1.3625 -4 2 12 69.65 2.01 1.3500 -2 -6 2 69.68 1.48 1.3494 -2 6 1 69.79 1.08 1.3475 -4 0 13 70.08 1.52 1.3428 6 0 0 70.13 1.46 1.3419 -2 6 0 70.25 1.00 1.3398 -2 6 4 70.42 2.11 1.3370 -1 0 16 70.67 1.29 1.3329 -2 -6 3 70.83 2.25 1.3303 4 4 7 71.35 1.25 1.3219 -2 4 13 72.39 2.63 1.3054 -5 1 11 72.47 1.24 1.3043 -1 -3 14 73.06 1.17 1.2952 5 4 2 73.35 1.24 1.2907 4 -2 10 74.04 1.47 1.2804 0 6 9 75.00 1.21 1.2663 5 0 9 75.24 1.32 1.2629 3 0 14 75.78 1.56 1.2553 -5 4 6 76.59 1.18 1.2440 0 6 10 78.54 1.18 1.2180 3 6 6 78.64 1.50 1.2166 -5 -3 10 80.21 1.02 1.1967 -5 -5 1 81.16 2.25 1.1851 3 -6 4 82.34 1.06 1.1711 -3 6 9 85.27 1.05 1.1382 1 2 18 86.30 1.47 1.1272 6 2 8 86.94 1.26 1.1206 6 -2 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.