Arsenbrackebuschite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100184 Hofmeister W, Tillmanns E Tschermaks Mineralogische und Petrographische Mitteilungen 25 (1978) 153-163 Strukturelle untersuchungen an arsenbrackebuschit _database_code_amcsd 0015672 CELL PARAMETERS: 7.7040 6.0320 8.9720 90.000 112.680 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.27390 0.75000 0.73560 1.000 1.500 Pb 0.69600 0.75000 0.60230 1.000 1.500 Fe 0.00000 0.00000 0.00000 0.650 0.700 Zn 0.00000 0.00000 0.00000 0.350 0.700 As 0.43570 0.75000 0.17360 1.000 0.600 As 0.03220 0.75000 0.33670 1.000 0.600 O 0.99600 0.98300 0.22500 1.000 1.000 O 0.26200 0.75000 0.47100 1.000 1.000 O 0.89800 0.75000 0.44400 1.000 1.000 O 0.49200 0.97700 0.29100 1.000 1.000 O 0.54100 0.75000 0.04100 1.000 1.000 O 0.19900 0.75000 0.06200 1.000 1.000 OH 0.82100 0.75000 0.91600 0.650 1.000 Wa 0.82100 0.75000 0.91600 0.350 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 5 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 118.6299482 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.69 17.42 8.2782 0 0 1 18.20 26.34 4.8751 0 1 1 19.30 3.00 4.5992 1 1 0 19.34 2.38 4.5889 1 0 1 19.60 2.97 4.5285 -1 1 1 21.47 8.17 4.1391 0 0 2 23.12 7.07 3.8477 -2 0 1 24.37 19.33 3.6521 1 1 1 25.05 2.74 3.5541 2 0 0 25.10 1.22 3.5481 -1 1 2 26.00 4.11 3.4277 -2 0 2 26.11 18.25 3.4129 0 1 2 27.50 100.00 3.2439 -2 1 1 28.84 5.95 3.0953 1 0 2 29.62 40.30 3.0160 0 2 0 29.88 40.06 2.9907 -1 0 3 29.98 26.19 2.9801 -2 1 2 30.97 7.24 2.8871 2 0 1 31.57 13.27 2.8338 0 2 1 32.24 5.24 2.7764 1 2 0 32.43 4.71 2.7606 -1 2 1 32.45 4.40 2.7594 0 0 3 32.51 54.03 2.7539 1 1 2 32.51 2.47 2.7538 -2 0 3 33.44 1.33 2.6794 -1 1 3 34.44 16.86 2.6042 2 1 1 35.62 1.11 2.5204 1 2 1 35.85 5.59 2.5051 -2 1 3 36.14 3.98 2.4854 -1 2 2 36.87 4.50 2.4375 0 2 2 37.97 7.46 2.3694 3 0 0 38.28 2.00 2.3513 -3 1 1 39.17 18.76 2.2996 2 2 0 39.32 4.71 2.2915 1 0 3 39.43 1.21 2.2851 -3 0 3 39.81 2.12 2.2643 -2 2 2 41.15 2.63 2.1937 -2 0 4 42.57 23.30 2.1236 -1 2 3 43.23 7.29 2.0927 -1 1 4 43.39 1.02 2.0856 2 2 1 43.60 6.34 2.0760 3 0 1 43.92 2.52 2.0616 -2 1 4 44.55 8.26 2.0336 -2 2 3 46.25 3.43 1.9630 3 1 1 46.48 3.09 1.9539 0 3 1 47.25 7.74 1.9238 -4 0 2 48.32 15.18 1.8837 -3 1 4 48.88 2.49 1.8632 3 2 0 49.12 7.72 1.8546 -4 0 3 49.49 2.71 1.8416 1 3 1 49.75 1.89 1.8329 -4 1 2 49.99 6.42 1.8246 1 2 3 50.08 2.15 1.8214 -3 2 3 50.46 1.72 1.8087 1 0 4 50.46 2.86 1.8086 0 3 2 50.51 3.35 1.8068 -4 1 1 50.91 3.50 1.7938 -1 2 4 51.27 14.61 1.7820 -2 3 1 51.42 4.42 1.7771 4 0 0 51.63 1.70 1.7703 -1 0 5 52.78 4.67 1.7343 -2 3 2 52.84 9.31 1.7325 1 1 4 53.59 12.91 1.7101 3 2 1 53.65 2.27 1.7085 3 1 2 53.71 1.02 1.7064 0 2 4 53.96 1.42 1.6992 -3 0 5 53.98 3.55 1.6987 -1 1 5 54.41 11.66 1.6862 1 3 2 55.71 2.97 1.6500 2 3 1 55.76 2.42 1.6486 -4 1 4 56.24 4.90 1.6355 -3 1 5 56.68 1.00 1.6239 -2 3 3 56.76 9.58 1.6220 -4 2 2 57.74 2.52 1.5966 0 1 5 58.42 4.05 1.5798 -4 2 3 60.35 1.76 1.5338 3 2 2 60.53 4.41 1.5296 3 0 3 60.66 7.07 1.5267 -1 2 5 61.49 8.63 1.5080 0 4 0 62.07 2.06 1.4953 -2 0 6 62.14 1.70 1.4937 -1 3 4 63.54 1.73 1.4641 -1 0 6 63.91 3.72 1.4566 -5 1 1 64.39 1.81 1.4470 1 1 5 64.52 1.06 1.4443 3 3 1 65.70 1.85 1.4213 -3 1 6 66.19 5.64 1.4118 -3 3 4 67.71 2.36 1.3837 5 1 0 68.00 1.40 1.3786 -4 3 1 68.09 3.73 1.3770 2 2 4 68.23 1.23 1.3745 -4 2 5 68.82 4.18 1.3642 3 2 3 69.85 5.80 1.3465 -1 4 3 69.96 3.89 1.3447 1 3 4 70.26 1.43 1.3397 -2 2 6 70.44 1.04 1.3367 2 4 1 70.93 1.30 1.3287 -1 3 5 71.65 1.22 1.3171 -1 2 6 71.72 1.80 1.3159 -3 2 6 72.46 1.03 1.3043 -4 3 4 72.88 2.04 1.2978 -3 3 5 73.50 1.19 1.2884 5 1 1 73.67 1.67 1.2860 5 2 0 74.20 1.22 1.2781 0 3 5 74.60 1.72 1.2722 3 4 0 75.24 1.48 1.2629 -5 0 6 75.83 2.26 1.2545 -6 1 3 76.29 3.74 1.2482 -5 2 5 76.54 1.67 1.2447 -3 1 7 77.48 3.57 1.2319 -6 1 4 78.37 1.82 1.2201 3 4 1 79.72 1.76 1.2028 -5 3 1 81.02 2.37 1.1868 -4 4 2 81.14 2.19 1.1854 5 1 2 81.36 1.05 1.1827 -3 3 6 82.43 2.66 1.1700 -4 4 3 82.87 1.44 1.1649 -5 2 6 83.23 1.19 1.1608 5 3 0 83.26 3.34 1.1605 0 1 7 84.09 3.36 1.1511 -2 5 1 84.21 1.50 1.1498 4 4 0 84.57 1.76 1.1458 2 0 6 85.29 1.01 1.1380 -2 5 2 86.60 2.30 1.1240 1 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.