Atelestite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080139 Mereiter K, Preisinger A Anzeiger der Osterreichische Akademie der Wissenschaften 123 (1986) 79-81 Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit Locality: Schneeberg, Saxony, Germany CELL PARAMETERS: 6.9870 7.4420 10.8220 90.000 106.975 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Bi 0.25070 0.41930 0.47330 1.000 0.800 Bi 0.40620 0.83750 0.66390 1.000 0.900 As 0.13190 0.57090 0.83140 1.000 0.700 O 0.50200 0.58400 0.60300 1.000 0.800 OH 0.37900 0.24400 0.64600 1.000 1.000 O 0.19400 0.63300 0.69800 1.000 1.200 O 0.18500 0.73200 0.94700 1.000 1.700 O 0.27000 0.38500 0.88900 1.000 1.300 O -0.11300 0.53200 0.77900 1.000 1.400 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 141.7249692 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.25 26.71 6.6826 1 0 0 14.66 21.00 6.0423 0 1 1 17.13 1.70 5.1753 0 0 2 17.84 1.14 4.9722 1 1 0 20.91 30.60 4.2489 0 1 2 21.44 1.44 4.1442 1 1 1 23.91 1.38 3.7210 0 2 0 24.64 1.28 3.6128 1 0 2 25.44 1.93 3.5016 0 2 1 26.68 8.24 3.3413 2 0 0 27.22 71.01 3.2766 -2 0 2 27.43 9.00 3.2510 1 2 0 27.44 55.38 3.2501 1 1 2 27.57 100.00 3.2358 -1 2 1 28.09 7.34 3.1761 -1 1 3 28.52 64.60 3.1301 0 1 3 29.30 4.30 3.0482 2 1 0 29.57 5.41 3.0212 0 2 2 29.96 1.95 2.9828 1 2 1 30.32 17.64 2.9479 -1 2 2 32.76 39.08 2.7334 2 1 1 33.28 2.33 2.6922 -1 0 4 33.65 4.74 2.6633 -2 1 3 35.25 6.79 2.5462 -2 2 1 35.46 18.56 2.5316 -1 1 4 35.48 1.20 2.5300 0 2 3 36.13 5.10 2.4861 2 2 0 36.77 1.11 2.4441 0 1 4 37.27 3.57 2.4124 0 3 1 38.04 2.05 2.3654 2 1 2 38.72 5.98 2.3256 1 3 0 39.08 7.69 2.3050 -3 0 2 39.21 6.37 2.2975 -2 1 4 40.32 1.17 2.2370 0 3 2 40.62 6.96 2.2213 1 3 1 40.89 5.81 2.2067 -1 3 2 40.91 11.27 2.2059 1 0 4 42.35 14.78 2.1340 3 1 0 42.55 3.07 2.1244 0 2 4 43.55 2.27 2.0780 -1 1 5 43.68 3.38 2.0721 2 2 2 44.29 17.61 2.0450 1 3 2 44.60 3.08 2.0316 2 1 3 44.73 6.30 2.0262 -1 3 3 44.73 1.55 2.0261 -2 2 4 44.82 3.32 2.0223 -2 3 1 45.01 4.37 2.0141 0 3 3 45.97 15.51 1.9743 -2 1 5 46.08 3.39 1.9696 -3 2 1 47.99 4.82 1.8956 2 3 1 48.31 19.47 1.8838 -3 2 3 48.64 1.06 1.8718 -2 3 3 48.96 3.21 1.8605 0 4 0 49.01 2.88 1.8585 3 0 2 49.44 4.33 1.8436 1 3 3 49.64 3.82 1.8366 2 2 3 49.80 7.23 1.8312 0 4 1 50.00 7.44 1.8243 -1 3 4 50.45 7.37 1.8090 0 2 5 50.53 9.69 1.8064 2 0 4 50.64 4.95 1.8025 -1 0 6 50.90 1.74 1.7939 -2 2 5 50.95 1.02 1.7923 1 4 0 51.00 4.17 1.7907 0 3 4 51.36 2.35 1.7789 1 1 5 51.87 4.32 1.7628 -3 2 4 52.26 5.26 1.7506 -3 1 5 52.41 1.97 1.7458 -4 0 2 52.49 5.33 1.7432 1 4 1 52.91 1.32 1.7306 -2 3 4 53.09 6.89 1.7251 0 0 6 54.11 4.24 1.6950 -3 3 1 54.33 1.57 1.6886 -3 3 2 54.43 8.13 1.6857 -4 1 1 55.25 1.24 1.6626 3 2 2 55.44 6.66 1.6574 3 3 0 55.77 1.53 1.6484 1 3 4 55.93 2.43 1.6441 -1 4 3 55.94 9.95 1.6436 1 2 5 56.01 1.58 1.6420 -2 4 1 56.14 6.01 1.6383 -4 0 4 56.43 3.68 1.6307 -1 3 5 56.45 1.93 1.6301 4 1 0 56.91 2.56 1.6179 -2 4 2 58.26 1.71 1.5837 3 3 1 58.39 1.98 1.5805 -4 2 2 58.44 2.54 1.5791 -2 3 5 58.66 3.51 1.5739 -3 1 6 59.30 6.03 1.5583 -2 4 3 59.32 2.21 1.5578 -3 3 4 59.41 3.60 1.5556 -4 2 3 59.90 2.91 1.5441 4 1 1 60.00 3.30 1.5419 1 4 3 60.77 1.20 1.5241 4 2 0 61.02 8.47 1.5184 3 2 3 61.58 1.03 1.5061 -4 1 5 62.44 2.74 1.4874 3 3 2 63.10 2.14 1.4732 0 5 1 63.29 5.37 1.4694 4 0 2 63.73 1.36 1.4603 2 3 4 63.87 1.28 1.4575 -3 3 5 64.08 1.32 1.4531 4 2 1 64.10 1.89 1.4528 1 5 0 64.15 3.94 1.4518 -3 4 1 64.66 1.77 1.4414 1 2 6 65.08 3.02 1.4333 -2 3 6 65.22 2.10 1.4304 0 5 2 65.54 5.08 1.4244 -1 2 7 65.64 1.29 1.4224 -1 5 2 65.65 1.03 1.4222 1 4 4 65.79 1.44 1.4194 -4 3 1 65.96 1.13 1.4163 0 3 6 66.14 4.82 1.4128 -2 2 7 66.25 1.90 1.4108 -1 4 5 66.79 2.06 1.4006 -4 1 6 67.04 1.05 1.3960 2 4 3 67.92 1.94 1.3800 3 4 1 68.34 2.66 1.3726 -5 1 2 68.53 1.04 1.3692 -2 5 1 69.04 1.86 1.3604 -5 0 4 69.08 2.31 1.3596 2 5 0 69.38 1.79 1.3546 2 1 6 69.60 1.28 1.3507 -3 3 6 69.88 2.11 1.3461 -2 0 8 70.24 1.76 1.3400 1 1 7 71.50 1.61 1.3195 -2 5 3 72.13 1.17 1.3095 1 5 3 73.00 1.39 1.2960 2 4 4 73.07 2.57 1.2950 -3 0 8 73.39 3.00 1.2902 0 5 4 74.19 1.06 1.2782 2 5 2 74.43 1.41 1.2747 0 1 8 75.06 1.72 1.2654 -1 2 8 75.10 1.01 1.2650 0 4 6 76.45 1.24 1.2460 -3 3 7 77.15 1.30 1.2363 -4 3 6 77.16 2.61 1.2362 -5 2 5 77.61 1.17 1.2302 4 1 4 77.90 1.55 1.2263 -1 5 5 78.42 1.03 1.2195 1 6 0 78.62 1.25 1.2169 -5 3 2 78.93 1.25 1.2129 -5 3 3 79.17 1.53 1.2098 2 1 7 79.20 3.12 1.2095 5 2 1 79.46 1.93 1.2062 0 6 2 79.84 2.57 1.2014 -1 6 2 80.07 2.19 1.1985 2 4 5 80.40 1.03 1.1944 -3 5 4 80.70 1.45 1.1907 1 1 8 80.85 1.53 1.1888 3 1 6 81.14 2.96 1.1854 -4 4 5 81.35 1.11 1.1828 -5 2 6 81.75 1.66 1.1781 -1 1 9 81.87 1.86 1.1766 5 3 0 81.99 1.21 1.1752 3 3 5 83.06 1.94 1.1628 2 6 0 83.07 2.18 1.1626 -5 1 7 83.51 2.99 1.1576 0 4 7 83.91 1.08 1.1531 4 4 2 84.20 1.59 1.1499 -6 1 3 85.53 2.39 1.1354 -2 5 6 85.72 1.48 1.1333 4 1 5 85.79 1.82 1.1326 -4 5 2 87.14 1.04 1.1185 0 6 4 87.60 1.41 1.1138 6 0 0 87.91 1.34 1.1106 2 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.