Andorite VI Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100190 Sawada H, Kawada I, Hellner E, Tokonami M Zeitschrift fur Kristallographie 180 (1987) 141-150 The crystal structure of senandorite (andorite VI): PbAgSb3S6 Locality: Freiberg, Saxony, Germany _database_code_amcsd 0010974 CELL PARAMETERS: 13.0250 19.2060 25.6730 90.000 90.000 90.000 SPACE GROUP: Pn2_1a ATOM X Y Z OCCUPANCY ISO(B) Pb 0.57230 0.75000 0.03430 1.000 1.000 Pb 0.57140 0.73580 0.19710 1.000 1.200 Pb 0.57600 0.74730 0.36910 1.000 0.900 Pb 0.59880 0.74840 0.54660 1.000 1.200 Pb 0.59700 0.74900 0.70950 1.000 1.500 Pb 0.58830 0.73830 0.87580 1.000 1.500 Ag 0.66010 0.36630 0.04240 1.000 2.000 Ag 0.67370 0.35090 0.21160 1.000 2.900 Ag 0.66990 0.13530 0.37480 1.000 3.400 Ag 0.68520 0.34730 0.54700 1.000 2.300 Ag 0.66620 0.35190 0.70730 1.000 2.300 Ag 0.67070 0.12800 0.86800 1.000 2.200 Sb 0.38010 0.43920 0.04540 1.000 0.500 Sb 0.36780 0.44070 0.19870 1.000 0.800 Sb 0.37990 0.43660 0.37200 1.000 1.000 Sb 0.38670 0.44600 0.54970 1.000 0.300 Sb 0.37830 0.44140 0.70700 1.000 0.500 Sb 0.37910 0.43520 0.86540 1.000 0.800 Sb 0.36620 0.04910 0.03200 1.000 0.800 Sb 0.37130 0.05060 0.20660 1.000 0.500 Sb 0.37250 0.03550 0.37690 1.000 1.100 Sb 0.38040 0.04340 0.53750 1.000 0.700 Sb 0.38810 0.04090 0.71570 1.000 1.100 Sb 0.37850 0.04080 0.87250 1.000 1.000 Sb 0.64640 0.11860 0.03780 1.000 1.000 Sb 0.62550 0.13530 0.20940 1.000 1.200 Sb 0.63090 0.34970 0.37610 1.000 0.700 Sb 0.62260 0.14310 0.54180 1.000 1.100 Sb 0.65310 0.11990 0.71070 1.000 0.400 Sb 0.65280 0.36700 0.87520 1.000 0.900 S 0.27300 0.33000 0.04600 1.000 1.100 S 0.29000 0.32500 0.20900 1.000 0.800 S 0.27300 0.33400 0.37800 1.000 0.900 S 0.28100 0.33700 0.55800 1.000 0.800 S 0.26200 0.34100 0.70300 1.000 1.200 S 0.29400 0.32700 0.87400 1.000 0.900 S 0.53100 0.58900 0.04600 1.000 1.600 S 0.49400 0.59600 0.18600 1.000 0.900 S 0.50700 0.60000 0.39100 1.000 1.400 S 0.50500 0.59500 0.52600 1.000 1.500 S 0.50800 0.59600 0.72200 1.000 1.700 S 0.51000 0.59100 0.86000 1.000 0.900 S 0.57400 0.23400 0.04400 1.000 1.600 S 0.55100 0.25500 0.21400 1.000 1.200 S 0.55100 0.23400 0.37400 1.000 0.400 S 0.54800 0.26300 0.53900 1.000 1.600 S 0.57100 0.23100 0.71600 1.000 0.900 S 0.58100 0.24700 0.88000 1.000 0.300 S 0.77200 0.49500 0.02100 1.000 0.900 S 0.71600 0.48200 0.22000 1.000 1.400 S 0.73800 0.49800 0.35800 1.000 1.500 S 0.71900 0.47800 0.55100 1.000 0.300 S 0.74600 0.48900 0.69000 1.000 0.200 S 0.79300 0.50900 0.88200 1.000 1.100 S 0.49700 0.90000 0.01800 1.000 0.300 S 0.52000 0.89300 0.21400 1.000 0.200 S 0.50100 0.89600 0.35300 1.000 0.400 S 0.50800 0.90200 0.55600 1.000 0.300 S 0.50500 0.88700 0.69800 1.000 0.600 S 0.51700 0.90500 0.88000 1.000 0.800 S 0.27900 0.16300 0.03600 1.000 0.500 S 0.26600 0.15600 0.20800 1.000 1.800 S 0.27100 0.14800 0.38800 1.000 0.700 S 0.26300 0.15000 0.53700 1.000 0.400 S 0.28500 0.15300 0.72100 1.000 1.000 S 0.26800 0.15200 0.86400 1.000 0.400 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 17 +/- 23 MAX. ABS. INTENSITY / VOLUME**2: 72.51587716 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.21 4.30 9.6030 0 2 0 14.36 11.08 6.1676 2 1 0 15.45 1.46 5.7360 1 2 3 16.45 8.24 5.3899 2 2 0 16.91 1.47 5.2442 1 3 2 17.73 1.44 5.0035 2 1 3 19.44 2.16 4.5655 2 3 0 21.86 5.78 4.0651 1 0 6 23.01 11.66 3.8647 2 4 0 23.53 1.37 3.7806 3 2 2 23.77 40.60 3.7435 1 2 6 23.94 1.40 3.7177 2 2 5 25.96 61.33 3.4317 1 3 6 26.95 100.00 3.3086 2 5 0 27.39 18.83 3.2562 4 0 0 27.79 14.41 3.2104 4 1 0 27.87 4.90 3.2010 0 6 0 28.78 1.06 3.1025 1 4 6 29.31 5.25 3.0476 3 0 6 29.68 31.91 3.0099 3 1 6 30.78 79.23 2.9048 3 2 6 31.13 19.65 2.8727 2 6 0 32.06 3.74 2.7919 1 5 6 32.20 1.45 2.7796 4 2 4 32.54 38.69 2.7517 3 3 6 33.24 1.16 2.6950 4 4 0 34.87 1.18 2.5730 3 4 6 35.50 1.19 2.5285 2 7 0 37.46 3.16 2.4007 0 8 0 37.94 1.07 2.3714 5 3 2 39.48 2.51 2.2827 4 6 0 39.63 19.66 2.2742 1 7 6 40.83 3.03 2.2103 5 1 6 40.89 2.56 2.2072 3 6 6 42.24 25.55 2.1394 0 0 12 42.70 3.08 2.1174 6 2 0 43.04 18.51 2.1017 5 3 6 43.11 3.26 2.0982 4 7 0 43.79 28.67 2.0672 1 8 6 44.05 1.14 2.0559 6 3 0 44.90 19.22 2.0188 5 4 6 45.88 10.97 1.9781 6 4 0 46.77 1.08 1.9423 5 4 7 47.33 9.48 1.9206 0 10 0 48.15 8.45 1.8899 6 5 0 48.25 1.22 1.8861 5 2 9 48.26 15.96 1.8859 3 8 6 48.64 3.52 1.8718 2 4 12 49.92 7.85 1.8270 5 6 6 50.82 1.37 1.7966 6 6 0 50.82 26.64 1.7965 2 5 12 51.08 7.36 1.7880 4 0 12 51.18 3.04 1.7849 4 9 0 51.32 3.97 1.7803 4 1 12 51.37 1.21 1.7787 0 6 12 52.34 2.89 1.7481 3 9 6 52.99 4.31 1.7282 5 7 6 53.40 3.89 1.7159 2 6 12 53.72 1.65 1.7064 7 0 6 53.85 1.21 1.7024 6 7 0 53.95 3.55 1.6997 7 1 6 54.40 2.80 1.6864 2 11 0 54.63 3.61 1.6800 7 2 6 55.55 7.62 1.6543 4 10 0 56.38 1.37 1.6319 5 8 6 56.74 2.88 1.6223 8 1 0 57.30 1.30 1.6078 7 4 6 57.40 3.28 1.6052 8 2 0 57.72 1.08 1.5972 0 8 12 59.19 1.22 1.5610 4 6 12 59.26 2.29 1.5594 7 5 6 60.07 1.75 1.5402 5 9 6 61.63 1.47 1.5050 6 2 12 61.95 1.53 1.4980 4 7 12 64.12 4.86 1.4524 6 4 12 64.82 1.01 1.4384 6 10 0 64.92 1.12 1.4364 4 12 0 65.29 6.08 1.4292 0 10 12 65.92 4.54 1.4170 3 12 6 65.95 5.06 1.4164 6 5 12 66.68 1.68 1.4026 1 2 18 67.32 1.34 1.3908 7 8 6 67.45 6.44 1.3885 1 13 6 67.69 3.15 1.3843 1 3 18 68.16 1.27 1.3758 6 6 12 68.46 1.79 1.3705 4 9 12 69.55 1.03 1.3517 3 1 18 69.80 1.27 1.3475 8 8 0 70.14 3.30 1.3417 3 2 18 70.69 2.27 1.3327 7 9 6 70.89 1.60 1.3294 3 13 6 71.12 1.58 1.3257 3 3 18 71.19 1.77 1.3244 2 11 12 71.58 2.54 1.3182 9 4 6 72.18 4.42 1.3087 4 10 12 73.11 1.16 1.2944 8 9 0 73.22 2.02 1.2927 8 1 12 73.52 1.11 1.2882 6 12 0 73.80 1.90 1.2840 8 2 12 74.31 1.74 1.2764 10 3 0 75.43 1.28 1.2602 9 6 6 75.70 2.14 1.2563 2 15 0 77.56 1.73 1.2308 5 13 6 77.79 1.33 1.2278 5 3 18 77.90 1.94 1.2264 9 7 6 78.32 2.53 1.2208 1 8 18 79.11 1.72 1.2106 5 4 18 81.58 2.13 1.1800 3 8 18 82.66 1.22 1.1674 7 12 6 85.09 1.14 1.1402 8 8 12 85.18 1.21 1.1392 11 1 6 87.40 1.55 1.1158 9 10 6 88.23 1.10 1.1075 8 9 12 88.62 1.05 1.1036 6 12 12 89.39 1.54 1.0961 10 3 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.