Wherryite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141161 Cooper M A, Hawthorne F C The Canadian Mineralogist 32 (1994) 373-380 The crystal structure of wherryite, Pb7Cu2(SO4)4(SiO4)2(OH)2, a mixed sulfate-silicate with [M(TO4)2] chains Locality: Mammoth-St Anthony mine, Tiger, Pinal County, Arizona, USA _database_code_amcsd 0005365 CELL PARAMETERS: 20.8020 5.7870 9.1400 90.000 91.200 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.14340 0.00000 0.26320 1.000 2.128 Pb 0.47390 0.00000 0.70610 1.000 2.105 Pb 0.34190 0.00000 0.32120 1.000 2.423 Pb 0.00000 0.00000 0.00000 1.000 2.505 Cu 0.25000 0.25000 0.00000 1.000 1.787 S 0.26680 0.00000 0.65750 1.000 1.654 S 0.43180 0.50000 0.34750 1.000 1.629 Si 0.39600 0.00000 -0.00890 1.000 2.022 O 0.31920 0.00000 0.03000 1.000 2.149 O 0.33560 0.00000 0.61500 1.000 2.749 O 0.41730 0.21600 -0.11000 1.000 1.890 O 0.22350 0.00000 0.53100 1.000 2.590 O 0.38500 0.50000 0.22200 1.000 2.743 O 0.43510 0.00000 0.14800 1.000 2.546 O 0.25760 0.20600 -0.25100 1.000 2.441 O 0.42360 0.29300 0.43800 1.000 3.556 O 0.50360 0.50000 -0.28500 1.000 3.393 O 0.30910 0.50000 -0.02900 1.000 2.006 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 19 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 112.2748905 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.50 7.22 10.3987 2 0 0 12.76 5.44 6.9366 -2 0 1 15.90 3.34 5.5752 1 1 0 18.60 53.76 4.7713 -1 1 1 18.69 2.86 4.7475 1 1 1 19.43 21.17 4.5690 0 0 2 19.47 11.87 4.5603 -4 0 1 21.07 1.38 4.2157 -2 0 2 21.41 3.82 4.1511 2 0 2 22.13 2.25 4.0167 -3 1 1 25.13 2.50 3.5437 -1 1 2 25.27 11.45 3.5242 1 1 2 25.69 2.57 3.4683 -4 0 2 25.70 10.49 3.4662 6 0 0 26.23 9.07 3.3970 4 0 2 26.39 3.04 3.3775 5 1 0 27.72 1.85 3.2186 6 0 1 27.82 17.16 3.2067 -3 1 2 28.01 19.61 3.1857 -5 1 1 28.20 14.63 3.1640 3 1 2 28.33 100.00 3.1507 5 1 1 29.32 31.47 3.0460 0 0 3 30.41 1.17 2.9398 -2 0 3 30.76 3.38 2.9068 2 0 3 30.90 38.44 2.8935 0 2 0 32.08 9.58 2.7898 -6 0 2 32.11 5.24 2.7876 2 2 0 32.46 1.71 2.7585 0 2 1 32.70 48.77 2.7384 -5 1 2 32.76 2.06 2.7341 6 0 2 33.44 8.34 2.6794 -1 1 3 33.56 5.28 2.6705 -2 2 1 33.67 1.54 2.6621 2 2 1 34.43 1.36 2.6045 4 0 3 34.50 4.24 2.5997 8 0 0 35.17 3.69 2.5517 -7 1 1 35.51 1.41 2.5283 4 2 0 35.51 1.82 2.5281 -3 1 3 35.53 4.89 2.5265 7 1 1 35.71 3.71 2.5144 -8 0 1 35.97 4.02 2.4966 3 1 3 36.77 15.94 2.4445 0 2 2 38.95 3.53 2.3122 -6 0 3 39.44 5.62 2.2845 0 0 4 39.50 4.14 2.2814 -5 1 3 39.80 4.04 2.2647 6 0 3 40.20 9.39 2.2431 5 1 3 40.62 23.44 2.2213 6 2 0 40.97 6.41 2.2027 4 2 2 42.11 2.15 2.1461 9 1 0 42.69 5.79 2.1181 -1 1 4 42.91 3.13 2.1078 -4 0 4 43.12 14.40 2.0979 0 2 3 43.52 2.57 2.0797 10 0 0 44.16 7.03 2.0507 2 2 3 44.34 2.82 2.0428 -3 1 4 44.47 7.79 2.0371 -10 0 1 44.86 1.24 2.0206 3 1 4 45.15 3.33 2.0083 -6 2 2 45.87 1.17 1.9781 7 1 3 46.39 4.01 1.9573 8 0 3 46.99 1.18 1.9338 8 2 0 47.19 2.41 1.9261 -6 0 4 47.68 4.86 1.9074 -5 1 4 47.93 1.16 1.8979 -8 2 1 48.25 1.31 1.8860 8 2 1 48.41 6.15 1.8804 -1 3 1 48.47 7.22 1.8781 10 0 2 48.49 7.99 1.8775 5 1 4 50.53 5.43 1.8063 -6 2 3 50.91 2.09 1.7936 2 0 5 50.93 2.12 1.7930 0 2 4 51.22 4.64 1.7834 6 2 3 51.64 3.56 1.7701 -11 1 1 51.66 1.34 1.7694 1 3 2 51.89 2.80 1.7621 2 2 4 52.06 6.46 1.7568 11 1 1 52.45 1.84 1.7445 -7 1 4 52.61 3.43 1.7396 -1 1 5 52.65 1.27 1.7385 9 1 3 52.78 2.12 1.7346 -10 0 3 52.79 1.54 1.7342 -8 0 4 52.80 1.33 1.7338 1 1 5 52.82 1.23 1.7331 12 0 0 53.10 2.48 1.7248 -3 3 2 53.21 2.59 1.7215 -5 3 1 53.32 2.01 1.7181 3 3 2 53.39 11.08 1.7159 5 3 1 53.50 2.24 1.7127 7 1 4 53.99 1.90 1.6985 8 0 4 54.00 1.10 1.6982 -3 1 5 54.40 1.66 1.6865 4 2 4 54.49 3.09 1.6839 -11 1 2 55.14 10.23 1.6657 -10 2 1 56.11 8.17 1.6390 -5 3 2 56.42 1.55 1.6308 -6 0 5 56.60 1.63 1.6261 -1 3 3 56.79 1.71 1.6212 8 2 3 57.48 4.18 1.6034 -6 2 4 57.77 2.33 1.5961 5 1 5 57.89 1.51 1.5929 -10 2 2 58.60 7.42 1.5753 10 2 2 59.17 2.85 1.5615 -11 1 3 59.86 1.93 1.5452 0 2 5 60.41 2.33 1.5324 -2 2 5 60.75 1.16 1.5245 2 2 5 60.86 1.08 1.5221 10 0 4 61.15 2.24 1.5155 13 1 1 61.33 2.14 1.5116 5 3 3 61.40 1.11 1.5101 -8 0 5 62.30 1.05 1.4903 7 1 5 63.19 1.12 1.4716 -1 3 4 64.40 5.50 1.4468 0 4 0 64.40 2.21 1.4467 -3 1 6 65.00 2.07 1.4348 3 1 6 65.43 2.19 1.4264 -11 1 4 65.73 1.02 1.4207 -6 2 5 66.97 1.64 1.3973 -5 1 6 67.09 1.29 1.3952 -5 3 4 67.74 2.54 1.3834 5 3 4 68.53 2.29 1.3692 -10 2 4 69.75 3.22 1.3483 15 1 0 70.32 1.18 1.3387 -11 3 1 70.54 1.14 1.3351 6 4 0 70.67 2.46 1.3329 11 3 1 70.79 1.00 1.3311 4 4 2 71.14 1.15 1.3253 -1 3 5 71.59 1.09 1.3181 8 2 5 72.16 1.12 1.3091 7 1 6 72.30 3.00 1.3068 0 4 3 72.73 1.12 1.3002 -11 3 2 73.27 1.18 1.2919 2 0 7 73.35 1.16 1.2907 -16 0 1 73.78 1.15 1.2843 -6 4 2 75.01 1.44 1.2663 13 1 4 77.63 1.21 1.2299 10 2 5 78.09 2.22 1.2238 15 1 3 81.61 1.91 1.1797 2 2 7 81.62 1.61 1.1796 -10 4 1 81.69 1.07 1.1787 -16 2 1 82.14 1.84 1.1735 -11 1 6 84.54 1.65 1.1461 10 4 2 85.84 1.61 1.1321 -6 2 7 86.43 1.35 1.1258 15 3 0 87.77 1.24 1.1121 -16 2 3 88.37 2.30 1.1061 5 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.