Quenselite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060439 Rouse R C Zeitschrift fur Kristallographie 134 (1971) 321-332 The crystal structure of quenselite Locality: Langban, Sweden CELL PARAMETERS: 5.5680 5.6390 9.0810 90.000 93.120 90.000 SPACE GROUP: P2/a ATOM X Y Z OCCUPANCY ISO(B) Pb -0.00920 0.24640 0.34100 1.000 0.900 Mn 0.75000 0.87250 0.00000 1.000 0.400 Mn 0.75000 0.38560 0.00000 1.000 0.400 O 0.11210 0.37400 0.87880 1.000 0.280 O 0.90390 0.13220 0.11270 1.000 0.690 OH 0.90440 0.15310 0.62890 1.000 0.960 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 127.8897277 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.75 14.69 9.0675 0 0 1 19.58 1.41 4.5338 0 0 2 22.46 1.30 3.9591 1 1 0 24.18 75.50 3.6810 -1 1 1 24.89 100.00 3.5778 1 1 1 29.37 67.07 3.0411 -1 1 2 29.55 65.51 3.0225 0 0 3 30.55 52.42 2.9264 1 1 2 31.74 37.21 2.8195 0 2 0 32.20 21.14 2.7799 2 0 0 33.19 28.84 2.6993 -2 0 1 33.28 20.21 2.6923 0 2 1 34.25 12.49 2.6181 2 0 1 36.70 1.92 2.4486 -1 1 3 36.86 1.14 2.4387 -1 2 1 37.00 15.39 2.4295 -2 0 2 37.34 4.49 2.4080 1 2 1 37.57 8.21 2.3943 0 2 2 38.91 6.45 2.3144 2 0 2 39.76 7.12 2.2669 0 0 4 41.49 5.63 2.1764 1 2 2 42.99 5.75 2.1039 -2 0 3 43.92 27.84 2.0617 0 2 3 45.32 12.06 2.0010 -1 1 4 45.52 8.07 1.9928 2 0 3 45.84 25.86 1.9795 2 2 0 46.40 1.26 1.9569 -1 2 3 46.58 8.91 1.9498 -2 2 1 46.95 16.04 1.9352 1 1 4 47.38 4.42 1.9185 2 2 1 47.61 2.84 1.9101 1 2 3 49.53 2.04 1.8405 -2 2 2 50.55 10.97 1.8056 -2 0 4 51.06 4.01 1.7889 2 2 2 51.74 8.39 1.7667 0 2 4 52.18 10.96 1.7531 -1 3 1 52.43 8.78 1.7453 -3 1 1 52.55 12.99 1.7416 1 3 1 53.53 14.27 1.7118 3 1 1 53.53 5.85 1.7118 2 0 4 53.77 1.71 1.7047 -1 2 4 54.41 14.37 1.6862 -2 2 3 54.86 12.07 1.6735 -1 1 5 54.96 12.89 1.6706 -3 1 2 55.08 13.02 1.6673 -1 3 2 55.22 2.64 1.6635 1 2 4 55.79 10.17 1.6477 1 3 2 56.55 13.10 1.6273 2 2 3 56.64 10.62 1.6251 1 1 5 57.09 8.68 1.6133 3 1 2 59.31 1.02 1.5582 -2 0 5 59.37 1.57 1.5567 -3 1 3 59.71 2.18 1.5487 3 2 0 60.16 1.09 1.5382 -3 2 1 60.93 5.45 1.5205 -2 2 4 61.34 7.03 1.5113 0 0 6 62.39 1.26 1.4884 -1 2 5 62.67 2.16 1.4824 2 0 5 63.59 2.76 1.4632 2 2 4 64.46 1.14 1.4455 3 2 2 65.42 2.76 1.4267 -3 1 4 66.17 3.63 1.4123 -1 3 4 66.30 1.24 1.4097 0 4 0 67.20 5.36 1.3930 0 4 1 67.37 4.28 1.3899 4 0 0 67.45 4.69 1.3886 1 3 4 69.11 2.22 1.3591 -2 0 6 69.24 5.33 1.3569 3 1 4 69.87 2.96 1.3462 0 4 2 70.73 5.53 1.3320 0 2 6 71.90 3.33 1.3132 -3 3 1 72.82 4.34 1.2988 3 3 1 72.93 5.46 1.2972 -3 1 5 73.42 3.93 1.2897 -4 0 3 73.95 5.59 1.2818 -1 3 5 74.03 4.92 1.2805 -3 3 2 74.23 3.15 1.2776 0 4 3 75.47 4.36 1.2596 1 3 5 75.63 7.20 1.2573 2 4 0 75.86 3.60 1.2541 3 3 2 76.40 4.31 1.2467 4 2 0 76.48 1.65 1.2455 -1 1 7 76.64 2.49 1.2433 -4 2 1 77.07 4.04 1.2375 4 0 3 77.49 4.13 1.2318 3 1 5 78.05 4.15 1.2243 -2 2 6 78.59 2.49 1.2173 1 1 7 79.99 2.21 1.1994 -2 0 7 80.18 2.40 1.1971 0 4 4 80.98 1.52 1.1873 4 2 2 81.64 3.82 1.1794 2 2 6 81.83 2.45 1.1771 0 2 7 82.19 3.29 1.1729 -4 2 3 82.33 6.43 1.1711 -2 4 3 83.28 1.64 1.1602 -3 3 4 84.11 5.23 1.1509 2 4 3 84.15 1.87 1.1504 2 0 7 85.74 3.31 1.1332 4 2 3 86.82 2.33 1.1218 3 3 4 87.42 2.19 1.1156 -4 2 4 88.61 2.21 1.1037 -2 2 7 88.88 3.20 1.1010 -1 1 8 89.13 2.55 1.0986 -1 5 1 89.43 2.21 1.0957 1 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.