Wallisite Takeuchi Y, Ohmasa M Zeitschrift fur Kristallographie 127 (1968) 349-365 The crystal structure of wallisite, PbTlCuAs2S5, the Cu analogue of hatchite PbTlAgAs2S5 Locality: Lengenbach quarry, Binnatal, Switzerland _database_code_amcsd 0010669 CELL PARAMETERS: 9.2150 8.5240 7.9800 55.983 62.500 69.400 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 457.105 Density (g/cm3): 5.705 MAX. ABS. INTENSITY / VOLUME**2: 41.17098138 RIR: 2.350 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.63 1.20 7.0079 0 1 0 2 12.97 11.54 6.8239 1 1 1 2 13.80 11.21 6.4167 0 1 1 2 14.25 10.60 6.2169 0 0 1 2 14.70 5.38 6.0260 1 0 1 2 15.63 1.21 5.6706 1 1 0 2 17.75 7.31 4.9967 -1 1 0 2 19.67 43.92 4.5134 2 1 1 2 20.76 1.30 4.2782 -1 0 1 2 21.05 24.29 4.2207 1 2 1 2 21.31 25.74 4.1693 -1 1 1 2 21.93 1.65 4.0537 2 0 0 2 22.39 24.64 3.9707 0 2 1 2 22.42 1.40 3.9653 1 1 2 2 23.23 3.54 3.8297 0 -1 1 2 23.92 42.89 3.7200 2 1 0 2 24.27 7.12 3.6680 1 -1 1 2 24.59 41.24 3.6200 1 2 2 2 24.81 5.37 3.5883 2 1 2 2 25.07 33.16 3.5517 2 2 1 2 25.42 37.20 3.5040 0 2 0 2 26.12 4.52 3.4120 2 2 2 2 26.40 10.28 3.3766 1 2 0 2 26.77 84.10 3.3301 -2 1 0 2 26.99 98.20 3.3039 1 0 2 2 27.12 38.72 3.2885 -1 -1 1 2 28.72 6.89 3.1084 0 0 2 2 29.02 1.58 3.0770 -1 2 0 2 29.23 2.80 3.0552 3 1 1 2 29.75 10.10 3.0029 2 -1 1 2 30.15 2.11 2.9640 -2 0 1 2 31.14 3.37 2.8725 -2 1 1 2 31.26 13.36 2.8612 3 0 1 2 31.26 86.64 2.8611 3 1 2 2 31.75 4.12 2.8181 3 2 2 2 31.86 78.75 2.8089 -1 1 2 2 32.64 7.84 2.7437 3 2 1 2 32.89 8.95 2.7231 2 3 2 2 33.15 4.61 2.7025 3 0 0 2 33.93 60.41 2.6418 0 3 1 2 34.00 13.27 2.6366 3 1 0 2 34.05 3.05 2.6327 2 2 3 2 34.24 3.64 2.6189 -1 0 2 2 34.41 19.18 2.6066 -2 -1 1 2 34.53 17.47 2.5973 1 2 3 2 34.77 19.63 2.5804 2 3 1 2 34.89 13.47 2.5716 0 -2 1 2 35.69 5.25 2.5159 2 1 3 2 35.95 4.86 2.4983 -2 2 0 2 35.96 4.64 2.4973 1 -1 2 2 36.13 20.02 2.4858 1 -2 1 2 36.99 13.23 2.4305 -2 2 1 2 37.11 22.25 2.4225 3 3 2 2 37.15 1.21 2.4202 -3 1 0 2 37.15 3.78 2.4201 3 2 3 2 37.18 18.78 2.4181 -1 -2 1 2 38.15 34.05 2.3589 1 3 3 2 38.55 2.97 2.3353 2 -1 2 2 38.78 3.51 2.3219 -1 3 1 2 38.99 6.67 2.3102 0 1 3 2 39.16 9.16 2.3006 3 1 3 2 39.62 3.69 2.2746 3 3 3 2 40.03 3.17 2.2526 4 1 2 2 40.70 8.23 2.2171 -3 0 1 2 40.92 6.93 2.2055 -1 -1 2 2 41.11 6.28 2.1957 1 0 3 2 41.46 9.61 2.1780 -1 3 2 2 41.63 1.05 2.1697 2 0 3 2 41.90 7.17 2.1562 4 0 1 2 42.07 13.70 2.1475 4 2 1 2 42.12 2.96 2.1455 2 3 0 2 42.25 2.27 2.1389 0 3 3 2 42.79 2.17 2.1133 1 4 2 2 42.85 6.28 2.1103 2 4 2 2 43.41 1.65 2.0847 -2 2 2 2 43.63 2.50 2.0747 -3 -1 1 2 43.68 2.07 2.0723 0 0 3 2 44.02 3.54 2.0569 4 3 2 2 44.07 11.20 2.0549 3 -1 2 2 44.24 1.29 2.0475 4 0 2 2 44.71 14.81 2.0269 4 0 0 2 44.95 4.91 2.0167 4 1 0 2 45.53 3.11 1.9923 1 4 3 2 45.76 13.46 1.9827 2 2 4 2 45.97 7.81 1.9744 3 4 3 2 46.12 3.53 1.9683 -2 3 1 2 46.46 3.98 1.9544 2 4 1 2 46.66 3.32 1.9467 0 4 1 2 47.03 6.26 1.9322 -3 2 1 2 47.03 1.68 1.9320 3 3 4 2 47.21 1.12 1.9252 1 -2 2 2 47.32 2.05 1.9210 -2 3 0 2 47.48 2.17 1.9148 0 -2 2 2 47.58 5.44 1.9109 -2 -1 2 2 47.63 11.53 1.9091 3 -2 1 2 48.04 2.87 1.8939 4 3 1 2 48.14 3.53 1.8902 3 3 0 2 48.97 6.58 1.8600 4 2 0 2 49.06 2.62 1.8568 2 1 4 2 49.06 9.97 1.8567 1 -3 1 2 49.09 6.28 1.8560 -1 -3 1 2 49.71 5.63 1.8342 5 2 2 2 49.71 1.30 1.8340 2 -2 2 2 50.12 4.47 1.8199 -3 -2 1 2 50.17 2.33 1.8184 5 1 2 2 50.35 1.26 1.8123 4 4 3 2 50.42 8.54 1.8100 2 4 4 2 50.55 7.34 1.8055 4 3 4 2 50.63 2.56 1.8031 2 -1 3 2 50.77 1.01 1.7984 3 4 4 2 50.89 1.16 1.7945 -1 4 1 2 50.90 2.02 1.7941 4 2 4 2 50.98 1.85 1.7914 -3 1 2 2 51.16 2.79 1.7854 4 0 3 2 51.23 1.07 1.7832 5 1 1 2 51.27 2.88 1.7819 5 2 3 2 51.63 3.90 1.7703 0 -1 3 2 51.77 1.34 1.7658 4 -1 2 2 51.86 3.86 1.7631 -3 0 2 2 51.98 4.66 1.7593 1 4 0 2 52.45 1.78 1.7447 5 3 3 2 52.72 1.58 1.7363 1 4 4 2 52.90 2.88 1.7307 0 3 4 2 53.41 1.40 1.7155 -4 1 1 2 53.61 3.55 1.7094 -3 2 2 2 53.65 9.41 1.7083 -2 2 3 2 53.98 7.27 1.6987 0 1 4 2 54.06 5.20 1.6964 3 -1 3 2 54.09 2.23 1.6954 -4 -1 1 2 54.13 7.83 1.6943 5 0 2 2 54.34 4.29 1.6883 2 4 0 2 54.71 1.21 1.6778 3 -2 2 2 54.71 6.71 1.6777 4 1 4 2 55.00 3.61 1.6695 1 5 2 2 55.15 5.96 1.6655 3 5 3 2 55.16 1.62 1.6651 -4 2 0 2 55.20 1.27 1.6640 -3 3 1 2 55.51 2.57 1.6555 1 5 3 2 55.64 5.12 1.6520 2 0 4 2 55.85 11.79 1.6461 -1 4 3 2 55.97 3.75 1.6430 -1 -1 3 2 56.34 1.15 1.6330 1 0 4 2 56.34 3.51 1.6330 -2 0 3 2 56.44 3.77 1.6302 4 -2 1 2 56.87 6.81 1.6191 4 4 1 2 56.98 6.44 1.6162 5 4 3 2 57.37 5.58 1.6061 -2 4 1 2 57.81 3.39 1.5950 0 5 2 2 58.22 1.67 1.5847 -1 2 4 2 58.31 1.66 1.5824 2 3 5 2 58.62 2.63 1.5749 5 -1 1 2 59.03 2.54 1.5648 5 4 4 2 59.28 1.77 1.5588 3 -3 1 2 59.34 1.49 1.5575 -3 -3 1 2 59.49 3.67 1.5539 2 5 1 2 59.60 1.04 1.5511 3 2 5 2 59.65 2.43 1.5500 2 2 5 2 59.71 1.40 1.5485 5 2 0 2 59.95 1.75 1.5430 1 -3 2 2 60.14 2.85 1.5385 -2 4 0 2 60.16 1.41 1.5381 1 5 4 2 60.36 1.84 1.5336 0 5 1 2 61.01 1.12 1.5188 5 1 4 2 61.08 3.20 1.5171 4 4 5 2 61.11 2.43 1.5164 1 3 5 2 61.40 1.95 1.5101 4 5 2 2 61.78 3.78 1.5016 2 -2 3 2 61.97 3.77 1.4974 0 -2 3 2 62.31 1.13 1.4902 -1 -4 1 2 63.02 1.47 1.4751 6 3 2 2 63.34 2.70 1.4683 6 1 1 2 63.36 1.63 1.4679 -3 -2 2 2 64.39 1.45 1.4468 3 1 5 2 64.41 1.88 1.4466 5 5 3 2 64.68 1.42 1.4411 5 5 4 2 65.15 2.78 1.4318 2 5 5 2 65.22 4.87 1.4306 6 2 4 2 65.32 2.89 1.4285 4 5 5 2 65.61 3.14 1.4229 -5 -1 1 2 65.67 4.74 1.4219 -4 3 1 2 65.68 3.25 1.4217 -5 1 1 2 65.80 1.96 1.4193 5 3 0 2 66.10 1.13 1.4136 1 1 5 2 66.45 2.00 1.4069 3 6 3 2 66.56 1.18 1.4049 -2 -3 2 2 66.59 2.87 1.4044 -2 2 4 2 66.96 1.95 1.3975 4 1 5 2 67.10 1.32 1.3948 3 6 4 2 67.38 1.08 1.3898 -3 3 3 2 67.91 1.36 1.3803 4 5 1 2 67.96 1.26 1.3793 -3 4 2 2 68.00 1.55 1.3787 2 6 2 2 68.22 1.04 1.3748 6 3 1 2 68.38 1.37 1.3719 6 4 2 2 68.55 2.62 1.3689 0 4 5 2 69.50 1.78 1.3525 -1 5 0 2 70.66 1.20 1.3331 4 -2 3 2 70.70 1.20 1.3324 -3 -4 1 2 71.00 1.35 1.3275 6 4 5 2 71.35 1.50 1.3220 2 0 5 2 71.41 1.17 1.3209 0 6 2 2 72.30 1.68 1.3069 7 3 3 2 72.41 1.26 1.3051 -1 -1 4 2 72.58 1.56 1.3025 3 -4 1 2 72.97 1.48 1.2965 -6 1 0 2 73.07 1.38 1.2950 6 2 5 2 73.38 1.53 1.2902 -1 2 5 2 73.85 1.16 1.2833 2 6 1 2 74.51 1.07 1.2735 5 4 0 2 74.54 1.96 1.2731 7 1 3 2 74.62 1.40 1.2719 -5 1 2 2 74.75 1.59 1.2699 2 -3 3 2 75.91 1.10 1.2534 6 0 4 2 76.84 1.67 1.2406 6 -1 3 2 77.10 1.22 1.2370 -1 6 3 2 77.19 1.62 1.2358 5 -3 1 2 77.45 1.23 1.2323 -5 3 1 2 78.10 1.34 1.2236 5 -2 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.