Szenicsite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050146 Stolz J, Armbruster T Neues Jahrbuch fur Mineralogie, Monatshefte 1998 (1998) 278-288 X-ray single-crystal structure refinement of szenicsite, Cu3MoO4(OH)4, and its relation to the structure of antlerite, Cu3SO4(OH)4 Locality: Jardinera No. 1, Inca de Oro, Atacama, Chile CELL PARAMETERS: 12.5460 8.5160 6.0750 90.000 90.000 90.000 SPACE GROUP: Pnnm ATOM X Y Z OCCUPANCY ISO(B) Cu 0.36739 0.23160 0.24939 1.000 1.440 Cu 0.50000 0.50000 0.50000 1.000 1.470 Cu 0.50000 0.50000 0.00000 1.000 1.520 Mo 0.13090 0.37588 0.00000 1.000 1.333 O 0.23140 0.23320 0.00000 1.000 1.920 O 0.14230 0.49150 0.23770 1.000 2.020 O 0.00770 0.27750 0.00000 1.000 2.050 O 0.46260 0.22670 0.00000 1.000 1.550 H 0.50600 0.12600 0.00000 1.000 5.100 O 0.27510 0.24230 0.50000 1.000 1.650 H 0.25600 0.34700 0.50000 1.000 4.700 O 0.39920 0.47110 0.25050 1.000 1.570 H 0.33600 0.53300 0.26000 1.000 4.900 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 7 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 26.44262014 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.56 2.04 7.0461 1 1 0 14.12 14.10 6.2730 2 0 0 16.21 45.16 5.4677 1 0 1 17.56 44.66 5.0507 2 1 0 17.94 32.79 4.9456 0 1 1 19.29 34.27 4.6010 1 1 1 20.86 9.04 4.2580 0 2 0 22.05 11.73 4.0321 1 2 0 23.70 73.92 3.7538 3 1 0 25.28 21.10 3.5230 2 2 0 25.86 22.60 3.4447 3 0 1 27.94 14.72 3.1933 3 1 1 28.46 28.98 3.1365 4 0 0 29.30 38.65 3.0476 2 2 1 29.95 5.86 2.9836 3 2 0 32.09 1.05 2.7894 1 1 2 32.33 41.14 2.7687 1 3 0 32.76 7.51 2.7339 2 0 2 33.84 13.50 2.6487 4 1 1 34.45 100.00 2.6030 2 1 2 34.69 46.56 2.5862 2 3 0 34.89 4.53 2.5718 0 3 1 35.55 9.52 2.5253 4 2 0 35.64 5.07 2.5194 1 3 1 36.33 6.21 2.4728 0 2 2 37.05 13.27 2.4261 1 2 2 37.36 7.69 2.4069 5 1 0 38.11 14.51 2.3613 3 1 2 39.16 5.36 2.3005 2 2 2 40.30 2.26 2.2377 5 1 1 41.21 1.52 2.1907 3 3 1 41.38 32.20 2.1820 4 0 2 41.78 2.61 2.1618 5 2 0 42.46 12.94 2.1290 0 4 0 42.47 6.24 2.1285 3 2 2 42.78 1.92 2.1137 4 1 2 42.97 1.03 2.1047 4 3 0 43.10 3.27 2.0990 1 4 0 43.27 4.47 2.0910 6 0 0 44.27 9.93 2.0462 1 3 2 44.62 1.52 2.0307 6 1 0 44.96 1.87 2.0161 2 4 0 45.37 2.29 1.9991 1 0 3 45.62 4.40 1.9887 4 3 1 45.73 3.84 1.9839 1 4 1 46.07 1.90 1.9701 0 1 3 46.10 1.80 1.9691 2 3 2 46.67 2.57 1.9462 1 1 3 46.78 3.50 1.9419 4 2 2 47.95 1.34 1.8973 3 4 0 48.24 11.69 1.8864 5 1 2 49.03 1.98 1.8580 3 3 2 50.05 2.44 1.8226 3 0 3 50.39 3.22 1.8110 3 4 1 50.84 3.90 1.7960 5 3 1 50.92 6.13 1.7933 6 2 1 51.26 1.95 1.7822 3 1 3 51.92 7.98 1.7613 5 2 2 52.09 6.22 1.7556 2 2 3 52.49 7.40 1.7434 0 4 2 53.03 1.45 1.7268 1 4 2 53.29 1.78 1.7190 7 0 1 54.34 24.89 1.6882 6 1 2 54.50 8.37 1.6836 6 3 0 54.64 3.67 1.6797 2 4 2 55.05 2.22 1.6683 4 1 3 55.76 1.32 1.6485 0 3 3 55.94 9.92 1.6437 2 5 0 56.08 1.30 1.6400 0 5 1 56.28 1.19 1.6345 1 3 3 56.60 1.06 1.6261 1 5 1 57.25 1.53 1.6092 3 4 2 57.66 2.69 1.5986 5 3 2 57.74 5.67 1.5967 6 2 2 58.51 1.05 1.5774 3 5 0 58.88 2.46 1.5684 5 4 1 58.89 11.52 1.5682 8 0 0 60.78 47.26 1.5238 4 4 2 61.01 14.90 1.5187 0 0 4 61.15 3.77 1.5155 7 3 0 62.09 1.65 1.4949 8 1 1 63.01 7.23 1.4753 1 5 2 63.14 1.09 1.4725 6 3 2 63.78 1.65 1.4592 4 3 3 63.87 1.38 1.4573 1 4 3 64.02 1.60 1.4544 2 1 4 64.07 1.52 1.4533 4 5 1 65.16 1.18 1.4317 5 4 2 66.27 2.27 1.4103 1 6 0 66.40 5.32 1.4079 3 1 4 66.83 1.62 1.3999 3 5 2 67.11 1.72 1.3947 2 2 4 67.67 1.34 1.3845 3 4 3 68.05 1.29 1.3778 5 3 3 68.12 2.12 1.3766 6 2 3 68.33 1.05 1.3728 5 5 1 68.66 3.15 1.3669 4 0 4 69.29 3.24 1.3561 7 3 2 69.66 2.03 1.3497 2 6 1 70.14 1.46 1.3417 9 1 1 70.31 1.04 1.3389 8 3 1 70.40 1.86 1.3375 7 4 1 70.75 5.23 1.3316 1 3 4 71.20 4.50 1.3244 8 2 2 71.43 2.94 1.3206 6 5 0 72.12 7.24 1.3096 2 3 4 72.64 2.58 1.3015 4 2 4 73.19 1.19 1.2931 4 6 0 73.77 1.56 1.2844 5 1 4 75.26 1.08 1.2627 8 4 0 76.07 1.42 1.2513 9 3 0 77.15 1.96 1.2364 0 4 4 77.22 1.37 1.2354 5 6 0 77.71 1.01 1.2288 6 0 4 78.82 2.00 1.2143 9 2 2 79.67 1.14 1.2034 10 2 0 81.54 1.14 1.1805 10 2 1 82.78 2.56 1.1659 8 4 2 83.92 1.20 1.1530 6 6 1 84.28 3.52 1.1490 10 1 2 84.32 1.21 1.1486 2 2 5 84.41 1.87 1.1475 10 3 0 84.76 4.78 1.1438 7 5 2 84.84 1.13 1.1428 2 6 3 85.53 1.06 1.1353 7 4 3 85.99 1.74 1.1305 11 1 0 86.25 3.18 1.1277 6 3 4 87.44 3.78 1.1155 2 5 4 87.83 2.16 1.1115 2 7 2 89.92 4.66 1.0910 8 0 4 89.99 3.55 1.0903 3 7 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.