Dundasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090038 Cocco G, Fanfani L, Nunzi A, Zanazzi P F Mineralogical Magazine 38 (1972) 564-569 The crystal structure of dundasite Locality: Gonnesa, Sardinia, Italy CELL PARAMETERS: 9.1600 16.7600 5.6450 90.000 90.000 90.000 SPACE GROUP: Pbnm ATOM X Y Z OCCUPANCY ISO(B) Pb 0.51310 0.41170 0.75000 1.000 2.400 Al 0.33380 0.19980 0.99800 1.000 2.300 C 0.41720 0.35060 0.25000 1.000 2.500 C 0.75990 0.45020 0.25000 1.000 2.800 O 0.40270 0.30970 0.05210 1.000 2.700 O 0.45990 0.42240 0.25000 1.000 2.100 O 0.77370 0.41120 0.05060 1.000 2.500 O 0.73990 0.52420 0.25000 1.000 2.800 OH 0.19690 0.20760 0.25000 1.000 1.900 OH 0.47050 0.18560 0.75000 1.000 1.900 OH 0.46190 0.16680 0.25000 1.000 2.400 OH 0.21820 0.23750 0.75000 1.000 2.400 Wa 0.10850 0.45760 0.25000 1.000 3.900 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 15 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 71.65572797 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.56 1.62 8.3800 0 2 0 11.01 100.00 8.0379 1 1 0 14.33 10.02 6.1830 1 2 0 18.96 19.29 4.6818 0 2 1 19.21 17.98 4.6196 1 1 1 19.38 11.82 4.5800 2 0 0 20.10 5.16 4.4180 2 1 0 21.20 4.00 4.1900 0 4 0 22.12 5.11 4.0189 2 2 0 24.43 45.89 3.6432 1 3 1 25.14 1.74 3.5419 2 3 0 26.49 7.92 3.3645 0 4 1 27.24 24.80 3.2740 2 2 1 28.35 19.77 3.1479 1 5 0 28.88 10.65 3.0915 2 4 0 29.74 14.06 3.0039 3 1 0 29.78 1.30 3.0002 2 3 1 31.70 8.86 2.8225 0 0 2 32.04 4.80 2.7933 0 6 0 32.57 5.37 2.7493 1 5 1 33.04 15.01 2.7115 2 4 1 33.36 5.50 2.6856 3 0 1 33.50 5.04 2.6749 0 2 2 33.65 14.23 2.6631 1 1 2 33.80 4.23 2.6518 3 1 1 35.09 1.48 2.5575 3 2 1 37.14 10.36 2.4205 3 3 1 37.43 10.96 2.4029 2 0 2 37.72 3.87 2.3848 2 6 0 37.82 2.66 2.3785 2 1 2 38.46 1.66 2.3409 0 4 2 38.88 3.60 2.3165 1 7 0 38.99 2.10 2.3098 2 2 2 39.35 3.58 2.2900 4 0 0 39.94 5.74 2.2573 3 5 0 40.85 2.06 2.2090 4 2 0 41.09 1.15 2.1968 2 6 1 42.17 3.69 2.1430 1 7 1 43.04 10.90 2.1015 1 5 2 43.18 1.81 2.0950 0 8 0 43.41 7.19 2.0844 2 4 2 44.02 6.80 2.0571 4 2 1 44.02 4.76 2.0569 3 1 2 44.36 1.24 2.0423 1 8 0 45.12 1.66 2.0095 4 4 0 45.70 3.73 1.9854 0 6 2 46.22 3.17 1.9641 0 8 1 48.06 3.64 1.8931 4 4 1 48.31 2.99 1.8841 3 7 0 49.66 2.80 1.8360 0 2 3 49.77 1.95 1.8321 1 1 3 50.07 5.39 1.8216 2 6 2 50.09 1.41 1.8212 5 1 0 50.56 5.23 1.8051 2 8 1 51.00 4.01 1.7906 1 7 2 51.11 2.78 1.7872 3 7 1 51.38 4.26 1.7783 4 0 2 51.61 3.36 1.7709 4 6 0 51.87 8.49 1.7628 3 5 2 52.26 3.94 1.7504 1 3 3 52.72 4.22 1.7364 1 9 1 52.82 1.57 1.7332 5 1 1 53.79 2.36 1.7041 2 2 3 54.77 1.25 1.6760 0 10 0 55.22 3.04 1.6635 5 3 1 57.31 1.64 1.6076 5 5 0 57.32 1.55 1.6073 2 4 3 60.09 2.49 1.5399 3 3 3 60.50 2.33 1.5303 3 9 1 60.50 2.81 1.5303 5 1 2 61.13 1.25 1.5161 2 10 1 61.72 1.27 1.5030 1 11 0 61.85 1.49 1.5001 4 6 2 62.28 1.31 1.4909 4 8 1 64.16 1.83 1.4514 6 2 1 65.12 1.70 1.4324 4 2 3 66.22 1.70 1.4112 0 0 4 66.83 1.12 1.3999 0 8 3 67.37 1.16 1.3900 1 1 4 68.22 1.51 1.3746 2 10 2 68.29 1.54 1.3735 4 4 3 70.32 1.13 1.3388 2 8 3 71.06 1.38 1.3266 1 11 2 72.10 1.50 1.3100 1 9 3 73.18 1.35 1.2932 5 7 2 73.55 1.75 1.2878 1 5 4 74.25 1.09 1.2773 3 1 4 74.59 1.35 1.2724 5 9 1 79.35 1.10 1.2075 2 12 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.