Bayldonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110033 Ghose S, Wan C Acta Crystallographica B35 (1979) 819-823 Structural chemistry of copper and zinc minerals. VI. Bayldonite, (Cu,Zn)3Pb(AsO4)2(OH)2: A complex layer structure Locality: Tsumeb, S.W. Africa _database_code_amcsd 0009665 CELL PARAMETERS: 10.1550 5.8900 14.0870 90.000 106.010 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Cu 0.00000 0.00000 0.00000 1.000 0.660 Cu 0.50000 0.00000 0.00000 1.000 0.550 Cu 0.25000 0.25000 0.50000 1.000 0.580 Pb 0.00000 0.26980 0.25000 1.000 1.190 As 0.29740 0.21640 0.14050 1.000 0.400 O 0.36720 0.45900 0.11790 1.000 0.700 O 0.14190 0.49860 0.41740 1.000 0.690 O 0.12150 0.22120 0.09710 1.000 0.960 O 0.34130 0.12600 0.25780 1.000 1.400 Oh 0.39600 0.24870 0.43730 1.000 0.390 H 0.38000 0.10900 0.35400 1.000 2.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 5 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 67.61008355 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.59 3.68 5.0430 1 1 0 17.87 24.73 4.9628 -1 1 1 18.18 12.56 4.8806 2 0 0 19.26 21.60 4.6075 -2 0 2 19.64 40.98 4.5199 1 1 1 20.40 4.84 4.3524 -1 1 2 26.33 15.63 3.3852 0 0 4 27.62 53.77 3.2298 -2 0 4 28.35 100.00 3.1477 1 1 3 30.35 16.63 2.9450 0 2 0 30.47 43.61 2.9333 -3 1 1 32.89 33.94 2.7236 -3 1 3 33.17 27.57 2.7006 0 2 2 33.69 34.20 2.6607 3 1 1 33.93 1.04 2.6418 1 1 4 35.27 3.34 2.5450 -2 2 1 35.31 36.66 2.5416 -1 1 5 35.50 3.01 2.5290 -4 0 2 35.61 3.74 2.5215 2 2 0 36.20 32.73 2.4814 -2 2 2 36.23 15.93 2.4797 2 0 4 36.83 13.75 2.4403 4 0 0 37.19 2.58 2.4177 2 2 1 39.10 16.89 2.3038 -4 0 4 39.89 33.17 2.2600 2 2 2 39.97 1.27 2.2557 1 1 5 41.50 7.65 2.1762 -2 2 4 42.71 3.57 2.1170 4 0 2 47.22 1.20 1.9248 1 3 0 47.34 4.28 1.9202 -1 3 1 47.38 3.10 1.9186 -4 2 2 47.76 2.86 1.9042 -5 1 1 47.91 11.03 1.8988 -1 1 7 47.94 4.08 1.8976 -5 1 3 48.11 3.71 1.8913 1 3 1 48.35 1.94 1.8823 -4 2 3 48.44 3.73 1.8790 4 2 0 48.46 4.32 1.8785 -1 3 2 48.91 5.33 1.8621 2 0 6 50.21 4.41 1.8170 -3 1 7 50.27 19.09 1.8150 -2 2 6 50.98 3.69 1.7913 0 2 6 51.88 8.36 1.7624 4 0 4 51.90 3.39 1.7616 3 1 5 51.99 15.74 1.7589 -5 1 5 52.70 13.59 1.7368 1 3 3 53.07 1.11 1.7257 1 1 7 53.29 14.72 1.7190 4 2 2 54.00 4.37 1.6980 -3 3 1 54.19 11.47 1.6926 0 0 8 54.23 4.12 1.6913 -6 0 2 55.51 3.31 1.6554 -6 0 4 55.55 5.43 1.6543 -3 3 3 56.08 3.87 1.6399 3 3 1 56.57 3.79 1.6269 6 0 0 56.70 7.36 1.6235 -4 2 6 57.03 9.87 1.6149 -4 0 8 57.19 6.27 1.6108 -1 3 5 58.59 6.92 1.5754 5 1 3 58.66 17.58 1.5739 2 2 6 61.48 2.44 1.5083 -2 2 8 61.78 1.96 1.5015 -1 1 9 62.47 2.69 1.4868 -3 1 9 62.88 1.23 1.4779 2 0 8 63.14 7.25 1.4725 0 4 0 63.38 1.95 1.4675 0 2 8 63.39 1.42 1.4674 4 0 6 63.42 19.73 1.4667 -6 2 2 64.20 1.16 1.4508 -3 3 6 64.43 2.34 1.4461 3 1 7 65.97 3.72 1.4160 -4 2 8 66.30 1.12 1.4097 2 4 0 66.66 3.12 1.4031 -1 3 7 66.68 1.21 1.4026 -5 3 3 66.68 1.04 1.4026 -2 4 2 66.83 1.40 1.3999 0 4 3 67.33 1.90 1.3908 2 4 1 67.50 1.20 1.3876 -7 1 1 67.68 1.22 1.3843 5 3 0 68.42 3.71 1.3712 5 1 5 68.96 1.56 1.3618 -6 2 6 69.63 1.66 1.3503 0 4 4 69.95 1.17 1.3449 3 3 5 70.02 5.97 1.3437 -5 3 5 70.25 4.84 1.3398 -2 4 4 70.83 1.46 1.3303 6 2 2 71.75 5.62 1.3156 7 1 1 73.16 1.43 1.2936 0 4 5 73.75 3.34 1.2847 -7 1 7 74.69 3.64 1.2708 -2 2 10 75.02 2.41 1.2661 2 4 4 75.13 1.87 1.2645 -8 0 4 75.39 3.45 1.2608 4 4 0 75.70 2.88 1.2564 5 3 3 76.54 5.06 1.2447 -3 1 11 76.83 3.42 1.2407 -4 4 4 76.89 1.42 1.2398 4 0 8 77.60 3.93 1.2303 0 2 10 77.67 1.18 1.2293 -4 2 10 78.37 1.45 1.2201 8 0 0 78.54 1.13 1.2179 -1 3 9 78.79 4.88 1.2147 3 1 9 81.84 1.85 1.1769 -7 1 9 82.21 1.41 1.1727 -2 0 12 83.40 1.45 1.1589 -1 5 2 83.44 2.40 1.1584 1 1 11 83.74 1.07 1.1550 2 4 6 84.02 1.61 1.1519 -8 0 8 84.63 1.38 1.1452 5 3 5 86.03 3.40 1.1301 -8 2 6 86.04 2.92 1.1300 4 4 4 86.19 1.19 1.1284 0 0 12 86.38 4.24 1.1264 -6 2 10 86.69 2.25 1.1232 1 5 3 87.76 3.14 1.1122 7 3 1 87.89 2.90 1.1109 0 4 8 89.67 1.94 1.0934 -7 3 7 89.89 3.79 1.0913 6 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.