Trigonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100050 Pertlik F Tschermaks Mineralogische und Petrographische Mitteilungen 25 (1978) 95-105 The crystal structure of trigonite, Pb3Mn(AsO3)2(AsO2(OH)) Locality: Langban, Varmland, Sweden AMCSD#0012386 CELL PARAMETERS: 7.2430 6.8080 11.0700 90.000 91.500 90.000 SPACE GROUP: Pn ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.12450 0.00000 1.000 0.910 Pb 0.19760 0.35230 0.29010 1.000 0.910 Pb 0.28520 0.27460 0.71360 1.000 0.940 Mn 0.49480 0.01830 0.95560 1.000 0.520 As 0.21120 0.79570 0.72090 1.000 0.610 As 0.26620 0.88940 0.19510 1.000 0.720 As 0.42170 0.48680 0.01030 1.000 0.880 O 0.26900 0.99600 0.82500 1.000 1.500 O 0.43600 0.70300 0.67900 1.000 1.200 O 0.19500 0.94800 0.59200 1.000 1.100 O 0.20600 0.02800 0.32000 1.000 0.400 O 0.04600 0.82200 0.12400 1.000 0.400 O 0.28100 0.10100 0.09900 1.000 1.900 O 0.47300 0.33600 0.88500 1.000 1.500 O 0.00800 0.28900 0.45700 1.000 1.700 OH 0.17500 0.54600 0.96700 1.000 2.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 64.97394938 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.00 9.13 6.8080 0 1 0 14.44 20.03 6.1329 -1 0 1 14.80 12.66 5.9875 1 0 1 15.28 5.59 5.7986 0 1 1 16.02 15.19 5.5331 0 0 2 17.88 61.07 4.9598 1 1 0 19.48 11.85 4.5566 -1 1 1 19.75 31.49 4.4960 1 1 1 20.69 19.65 4.2938 0 1 2 23.88 14.46 3.7266 -1 1 2 24.31 44.22 3.6608 1 1 2 24.59 8.70 3.6203 2 0 0 26.18 4.21 3.4040 0 2 0 26.84 19.21 3.3221 -1 0 3 27.41 30.58 3.2536 0 2 1 27.42 13.02 3.2525 1 0 3 27.50 45.13 3.2433 0 1 3 27.91 6.96 3.1964 2 1 0 28.89 54.10 3.0900 -2 1 1 28.99 41.50 3.0805 1 2 0 29.12 57.48 3.0664 -2 0 2 29.84 100.00 2.9937 2 0 2 29.93 31.96 2.9856 -1 1 3 30.02 10.55 2.9763 -1 2 1 30.20 27.99 2.9592 1 2 1 30.46 5.82 2.9348 1 1 3 30.84 41.60 2.8993 0 2 2 32.01 16.24 2.7959 -2 1 2 32.36 36.12 2.7666 0 0 4 33.13 31.55 2.7043 -1 2 2 33.45 32.71 2.6789 1 2 2 35.01 3.91 2.5630 0 1 4 35.90 3.63 2.5016 0 2 3 36.22 12.00 2.4799 2 2 0 36.78 9.72 2.4438 -2 1 3 36.92 9.59 2.4348 -1 1 4 37.30 12.70 2.4107 2 2 1 37.51 6.87 2.3979 1 1 4 37.66 1.59 2.3885 2 1 3 37.84 13.14 2.3775 -1 2 3 37.95 9.24 2.3710 -3 0 1 38.27 4.26 2.3516 1 2 3 38.38 1.47 2.3453 3 0 1 39.56 3.91 2.2783 -2 2 2 39.62 6.77 2.2748 3 1 0 40.11 4.19 2.2480 2 2 2 40.28 10.44 2.2391 -3 1 1 40.52 1.74 2.2265 -2 0 4 40.58 6.66 2.2231 0 3 1 40.69 2.07 2.2174 3 1 1 41.60 1.38 2.1709 2 0 4 41.71 4.32 2.1655 1 3 0 42.09 3.66 2.1469 0 2 4 42.39 6.59 2.1322 -1 0 5 42.47 7.15 2.1283 -1 3 1 42.60 1.41 2.1224 -3 1 2 42.61 6.82 2.1220 1 3 1 42.73 2.71 2.1162 -2 1 4 42.97 3.60 2.1048 0 1 5 43.05 5.44 2.1012 1 0 5 43.08 15.39 2.0996 0 3 2 43.38 9.71 2.0859 3 1 2 43.61 14.63 2.0754 -2 2 3 43.73 4.42 2.0698 -1 2 4 43.77 5.34 2.0683 2 1 4 44.25 7.95 2.0470 1 2 4 44.31 4.78 2.0443 -3 0 3 44.38 8.33 2.0412 2 2 3 44.53 2.67 2.0348 -1 1 5 44.83 1.44 2.0219 -1 3 2 45.08 3.33 2.0112 1 3 2 45.16 8.81 2.0078 1 1 5 45.44 1.81 1.9958 3 0 3 46.10 12.24 1.9688 3 2 0 46.38 1.55 1.9579 -3 1 3 46.69 3.63 1.9456 -3 2 1 47.01 3.78 1.9329 0 3 3 47.05 2.70 1.9313 3 2 1 47.27 6.46 1.9228 2 3 0 47.47 2.12 1.9152 3 1 3 47.91 2.20 1.8989 -2 3 1 48.15 5.59 1.8900 2 3 1 48.59 4.69 1.8739 -1 3 3 48.76 2.16 1.8675 -3 2 2 48.88 2.76 1.8633 -2 2 4 48.94 1.16 1.8611 1 3 3 49.10 9.81 1.8555 0 2 5 49.41 1.80 1.8444 0 0 6 49.47 7.17 1.8425 3 2 2 49.55 18.85 1.8396 -2 1 5 49.82 10.53 1.8304 2 2 4 50.41 10.98 1.8101 4 0 0 50.51 6.26 1.8070 -1 2 5 50.71 7.25 1.8003 2 1 5 51.08 8.89 1.7880 1 2 5 51.37 3.12 1.7787 -3 1 4 52.13 1.17 1.7546 0 3 4 52.19 4.51 1.7525 -3 2 3 52.30 5.48 1.7494 4 1 0 52.72 7.78 1.7362 3 1 4 52.77 4.89 1.7347 -4 1 1 53.20 4.26 1.7217 3 2 3 53.22 13.22 1.7212 4 1 1 53.30 3.95 1.7187 1 1 6 53.43 2.23 1.7149 -2 3 3 53.54 8.25 1.7117 -1 3 4 53.69 1.06 1.7073 4 0 2 54.09 1.35 1.6954 2 3 3 54.62 1.19 1.6802 -4 1 2 55.12 1.17 1.6662 -2 2 5 55.46 3.20 1.6568 1 4 0 55.49 2.74 1.6560 4 1 2 55.59 1.38 1.6533 3 3 0 55.60 5.11 1.6529 -3 0 5 56.08 21.60 1.6400 -1 4 1 56.10 4.44 1.6394 -3 3 1 56.20 1.10 1.6367 2 2 5 56.42 3.63 1.6309 3 3 1 56.59 6.70 1.6263 2 0 6 56.77 2.86 1.6216 0 2 6 56.81 2.00 1.6205 -3 2 4 57.07 3.92 1.6137 -2 1 6 57.20 2.19 1.6103 3 0 5 57.36 3.64 1.6062 -3 1 5 57.68 1.37 1.5982 4 2 0 57.75 12.17 1.5963 -4 1 3 57.93 8.20 1.5919 -3 3 2 58.00 2.53 1.5903 -1 2 6 58.01 2.51 1.5898 -1 4 2 58.03 3.86 1.5893 -2 3 4 58.08 7.81 1.5882 3 2 4 58.13 5.61 1.5870 -4 2 1 58.22 2.02 1.5846 1 4 2 58.34 1.01 1.5818 2 1 6 58.56 2.24 1.5763 3 3 2 58.62 2.12 1.5747 1 2 6 58.87 6.97 1.5687 2 3 4 59.49 5.20 1.5539 -1 3 5 59.53 4.81 1.5530 -1 0 7 59.85 1.40 1.5454 0 4 3 60.00 1.71 1.5418 1 3 5 60.07 1.72 1.5403 2 4 0 60.08 7.28 1.5399 0 1 7 60.25 4.29 1.5361 1 0 7 60.60 1.10 1.5279 -2 4 1 60.68 2.24 1.5261 4 2 2 61.00 7.11 1.5189 -3 3 3 61.22 3.94 1.5141 -1 1 7 61.49 14.44 1.5080 1 4 3 61.91 1.86 1.4987 3 3 3 61.92 1.46 1.4985 1 1 7 62.00 7.27 1.4969 4 0 4 62.05 3.66 1.4958 -4 1 4 62.18 1.32 1.4928 -2 2 6 62.40 1.14 1.4881 -2 4 2 62.46 1.82 1.4869 -3 2 5 64.03 4.13 1.4543 4 2 3 64.22 2.19 1.4503 -3 1 6 64.25 1.83 1.4496 0 4 4 64.65 2.69 1.4416 2 3 5 65.18 2.78 1.4313 0 3 6 65.19 2.28 1.4311 5 0 1 65.22 1.00 1.4305 -3 3 4 65.40 2.48 1.4270 -2 4 3 65.88 1.17 1.4177 1 4 4 65.99 2.49 1.4157 3 1 6 66.14 1.96 1.4129 -1 2 7 66.39 1.63 1.4081 3 3 4 66.43 1.59 1.4073 -4 3 1 66.81 1.77 1.4002 1 2 7 66.89 3.33 1.3987 1 3 6 67.32 1.11 1.3909 3 4 0 67.88 1.63 1.3807 -5 1 2 68.05 1.11 1.3778 -4 3 2 68.06 9.57 1.3775 3 4 1 68.47 1.04 1.3702 4 2 4 68.81 1.22 1.3643 4 3 2 68.84 1.78 1.3638 5 1 2 69.03 1.42 1.3606 -3 2 6 69.06 2.55 1.3601 -5 0 3 69.32 1.10 1.3556 0 1 8 69.52 2.69 1.3522 -2 4 4 69.56 1.72 1.3514 0 5 1 69.69 2.61 1.3492 0 4 5 69.99 1.45 1.3442 3 4 2 70.00 3.74 1.3440 -2 2 7 70.22 2.18 1.3404 -2 3 6 70.35 1.64 1.3381 1 5 0 70.62 1.12 1.3338 -5 1 3 70.84 1.91 1.3302 -1 4 5 71.05 1.26 1.3268 -5 2 1 71.32 2.94 1.3224 2 2 7 71.96 2.11 1.3123 4 3 3 72.09 2.56 1.3102 -4 2 5 72.15 2.07 1.3091 -4 0 6 72.23 1.61 1.3080 -3 4 3 72.51 2.94 1.3036 -2 0 8 72.57 1.16 1.3027 -5 2 2 72.79 1.32 1.2992 1 5 2 73.50 2.86 1.2885 5 2 2 73.84 1.64 1.2834 3 1 7 74.25 1.59 1.2774 0 5 3 74.47 1.36 1.2741 -5 1 4 74.60 1.69 1.2721 1 3 7 74.69 1.34 1.2709 -2 4 5 74.72 1.35 1.2704 -4 3 4 74.93 1.32 1.2674 -2 5 1 74.94 1.18 1.2672 -1 2 8 75.11 1.21 1.2647 2 5 1 75.68 1.56 1.2567 1 2 8 75.91 1.69 1.2535 4 1 6 76.10 1.67 1.2508 0 4 6 76.31 1.96 1.2479 5 1 4 76.72 2.42 1.2422 -3 3 6 76.92 1.37 1.2394 2 5 2 78.32 2.89 1.2207 5 3 0 78.38 1.83 1.2200 3 2 7 78.67 4.47 1.2163 -5 3 1 78.80 2.26 1.2146 -4 4 2 79.00 1.11 1.2120 -5 2 4 79.12 1.83 1.2105 5 3 1 79.39 1.60 1.2070 1 0 9 79.40 3.98 1.2069 -1 5 4 79.52 1.50 1.2053 4 4 2 79.85 2.00 1.2012 2 5 3 80.34 2.05 1.1951 -3 1 8 80.41 1.12 1.1942 4 2 6 80.88 1.42 1.1885 1 1 9 81.11 1.64 1.1858 -3 4 5 81.19 4.40 1.1847 -6 1 1 81.49 1.61 1.1811 0 3 8 81.73 1.28 1.1782 6 1 1 81.94 1.59 1.1758 2 4 6 82.21 1.22 1.1727 6 0 2 82.44 1.62 1.1699 -1 3 8 82.45 4.60 1.1697 3 4 5 82.50 1.13 1.1692 3 1 8 82.61 1.97 1.1679 -6 1 2 83.07 2.97 1.1626 -3 5 2 83.16 1.52 1.1616 -2 5 4 83.44 1.42 1.1584 4 1 7 83.45 1.01 1.1583 0 4 7 83.61 1.05 1.1565 3 5 2 83.61 2.39 1.1564 0 2 9 83.92 1.12 1.1530 -3 3 7 84.07 1.04 1.1514 5 3 3 84.44 1.88 1.1472 -1 4 7 84.79 1.58 1.1434 -3 2 8 85.07 1.04 1.1404 1 4 7 85.21 2.33 1.1388 2 1 9 85.32 1.09 1.1376 1 2 9 85.33 2.22 1.1375 -5 1 6 85.37 1.27 1.1371 -4 2 7 86.15 2.13 1.1287 0 6 1 86.17 2.04 1.1286 6 2 1 86.41 2.13 1.1261 -5 3 4 86.74 2.59 1.1226 6 1 3 87.30 1.31 1.1169 -6 0 4 87.43 1.54 1.1156 2 3 8 87.50 1.13 1.1148 1 6 1 87.80 2.13 1.1118 4 3 6 88.01 2.15 1.1097 5 1 6 88.24 1.13 1.1074 -3 0 9 88.32 2.09 1.1066 0 0 10 89.04 1.58 1.0995 -1 6 2 89.46 1.09 1.0954 0 5 6 89.74 1.05 1.0927 -5 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.