Wherryite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110089 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 _database_code_amcsd 0005365 CELL PARAMETERS: 20.8190 5.8020 9.1610 90.000 91.250 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 2.506 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 2.021 O 0.31920 0.00000 0.03000 1.000 2.149 O 0.33560 0.00000 0.61500 1.000 2.748 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 2.744 O 0.43510 0.00000 0.14800 1.000 2.546 O 0.25760 0.20600 -0.25100 1.000 2.440 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 2.007 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: 111.4071413 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.50 7.20 10.4070 2 0 0 12.74 5.45 6.9511 -2 0 1 15.86 3.34 5.5889 1 1 0 18.55 53.87 4.7833 -1 1 1 18.65 2.87 4.7584 1 1 1 19.38 21.21 4.5794 0 0 2 19.44 11.87 4.5673 -4 0 1 21.02 1.38 4.2257 -2 0 2 21.37 3.82 4.1582 2 0 2 22.08 2.25 4.0254 -3 1 1 25.07 2.51 3.5524 -1 1 2 25.21 11.47 3.5321 1 1 2 25.63 2.58 3.4755 -4 0 2 25.68 10.48 3.4690 6 0 0 26.20 9.07 3.4011 4 0 2 26.35 3.04 3.3823 5 1 0 27.70 1.85 3.2209 6 0 1 27.75 17.21 3.2143 -3 1 2 27.96 19.63 3.1913 -5 1 1 28.15 14.64 3.1696 3 1 2 28.29 100.00 3.1547 5 1 1 29.25 31.56 3.0529 0 0 3 30.33 1.17 2.9469 -2 0 3 30.70 3.39 2.9124 2 0 3 30.82 38.60 2.9010 0 2 0 32.03 9.60 2.7947 -6 0 2 32.03 5.26 2.7945 2 2 0 32.37 1.72 2.7656 0 2 1 32.63 48.90 2.7440 -5 1 2 32.72 2.06 2.7366 6 0 2 33.36 8.37 2.6859 -1 1 3 33.47 5.30 2.6772 -2 2 1 33.58 1.55 2.6685 2 2 1 34.38 1.36 2.6085 4 0 3 34.47 4.23 2.6018 8 0 0 35.12 3.69 2.5555 -7 1 1 35.42 1.83 2.5342 -3 1 3 35.43 1.41 2.5338 4 2 0 35.49 4.88 2.5291 7 1 1 35.67 3.71 2.5172 -8 0 1 35.90 4.03 2.5013 3 1 3 36.67 16.00 2.4506 0 2 2 38.87 3.54 2.3170 -6 0 3 39.35 5.64 2.2897 0 0 4 39.41 4.15 2.2865 -5 1 3 39.75 4.04 2.2674 6 0 3 40.14 9.41 2.2466 5 1 3 40.54 23.50 2.2254 6 2 0 40.89 6.43 2.2072 4 2 2 42.06 2.15 2.1483 9 1 0 42.58 5.81 2.1232 -1 1 4 42.80 3.15 2.1128 -4 0 4 43.01 14.47 2.1030 0 2 3 43.48 2.57 2.0814 10 0 0 44.06 7.06 2.0553 2 2 3 44.23 2.83 2.0478 -3 1 4 44.42 7.79 2.0393 -10 0 1 44.76 1.25 2.0246 3 1 4 45.04 3.34 2.0127 -6 2 2 45.81 1.17 1.9806 7 1 3 46.34 4.01 1.9592 8 0 3 46.91 1.19 1.9369 8 2 0 47.08 2.42 1.9304 -6 0 4 47.56 4.88 1.9119 -5 1 4 47.84 1.16 1.9013 -8 2 1 48.18 1.31 1.8888 8 2 1 48.27 6.19 1.8853 -1 3 1 48.40 8.02 1.8807 5 1 4 48.43 7.21 1.8795 10 0 2 50.41 5.46 1.8104 -6 2 3 50.80 2.10 1.7974 2 0 5 50.80 2.13 1.7973 0 2 4 51.13 4.65 1.7865 6 2 3 51.52 1.35 1.7739 1 3 2 51.57 3.56 1.7722 -11 1 1 51.76 2.82 1.7660 2 2 4 52.01 6.46 1.7583 11 1 1 52.33 1.85 1.7484 -7 1 4 52.48 3.45 1.7437 -1 1 5 52.59 1.27 1.7404 9 1 3 52.67 1.54 1.7378 -8 0 4 52.67 1.34 1.7376 1 1 5 52.68 2.13 1.7375 -10 0 3 52.78 1.23 1.7345 12 0 0 52.95 2.50 1.7292 -3 3 2 53.07 2.61 1.7256 -5 3 1 53.19 2.02 1.7221 3 3 2 53.27 11.13 1.7197 5 3 1 53.42 2.24 1.7151 7 1 4 53.86 1.11 1.7023 -3 1 5 53.92 1.90 1.7006 8 0 4 54.28 1.67 1.6899 4 2 4 54.41 3.10 1.6863 -11 1 2 55.04 10.26 1.6683 -10 2 1 55.97 8.22 1.6430 -5 3 2 56.28 1.56 1.6346 -6 0 5 56.44 1.64 1.6302 -1 3 3 56.69 1.71 1.6236 8 2 3 57.33 4.20 1.6071 -6 2 4 57.65 2.34 1.5989 5 1 5 57.78 1.52 1.5956 -10 2 2 58.52 7.43 1.5774 10 2 2 59.06 2.86 1.5641 -11 1 3 59.70 1.94 1.5488 0 2 5 60.25 2.34 1.5361 -2 2 5 60.61 1.16 1.5279 2 2 5 60.79 1.08 1.5237 10 0 4 61.10 2.24 1.5167 13 1 1 61.18 2.15 1.5148 5 3 3 61.25 1.11 1.5134 -8 0 5 62.19 1.06 1.4926 7 1 5 63.01 1.12 1.4752 -1 3 4 64.21 5.54 1.4505 0 4 0 64.23 2.22 1.4502 -3 1 6 64.85 2.08 1.4377 3 1 6 65.29 2.20 1.4290 -11 1 4 65.55 1.03 1.4241 -6 2 5 66.79 1.65 1.4007 -5 1 6 66.90 1.30 1.3986 -5 3 4 67.58 2.56 1.3862 5 3 4 68.37 2.31 1.3720 -10 2 4 69.67 3.22 1.3495 15 1 0 70.18 1.18 1.3410 -11 3 1 70.35 1.15 1.3382 6 4 0 70.55 2.47 1.3350 11 3 1 70.59 1.01 1.3342 4 4 2 70.94 1.16 1.3286 -1 3 5 71.46 1.10 1.3202 8 2 5 72.02 1.13 1.3113 7 1 6 72.09 3.03 1.3101 0 4 3 72.57 1.12 1.3027 -11 3 2 73.09 1.19 1.2947 2 0 7 73.27 1.16 1.2919 -16 0 1 73.57 1.16 1.2874 -6 4 2 74.92 1.44 1.2675 13 1 4 77.49 1.21 1.2317 10 2 5 78.02 2.22 1.2248 15 1 3 81.39 1.92 1.1823 2 2 7 81.42 1.62 1.1820 -10 4 1 81.57 1.07 1.1802 -16 2 1 81.92 1.85 1.1760 -11 1 6 84.34 1.65 1.1483 10 4 2 85.58 1.62 1.1349 -6 2 7 86.28 1.35 1.1274 15 3 0 87.60 1.25 1.1138 -16 2 3 88.10 2.31 1.1088 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.