Dawsonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050645 Frueh A J, Golightly J P The Canadian Mineralogist 9 (1967) 51-56 The crystal structure of dawsonite NaAl(CO3)(OH)2 Locality: McGill University, Montreal, Quebec, Canada CELL PARAMETERS: 6.7550 10.4160 5.5780 90.000 90.000 90.000 SPACE GROUP: Imam ATOM X Y Z OCCUPANCY ISO(B) Na 0.25000 0.75000 0.25000 1.000 0.030 Al 0.00000 0.50000 0.00000 1.000 0.030 C 0.00000 0.25400 0.25000 1.000 0.030 O 0.00000 0.13300 0.25000 1.000 0.030 O 0.00000 0.31500 0.05200 1.000 0.030 OH 0.18000 0.52500 0.25000 1.000 0.030 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 9 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 15.44460671 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.64 100.00 5.6675 1 1 0 18.04 1.54 4.9173 0 1 1 26.39 13.17 3.3775 2 0 0 26.88 4.39 3.3164 1 2 1 28.91 4.44 3.0880 1 3 0 32.09 4.09 2.7890 0 0 2 32.15 58.40 2.7840 2 1 1 34.44 15.96 2.6040 0 4 0 35.89 13.40 2.5024 1 1 2 36.55 1.10 2.4586 0 2 2 40.50 2.06 2.2276 1 4 1 40.62 2.92 2.2208 2 3 1 42.01 18.20 2.1506 2 0 2 43.74 2.51 2.0698 1 3 2 43.90 1.40 2.0622 2 4 0 45.57 14.86 1.9907 1 5 0 45.64 1.36 1.9878 2 2 2 46.54 7.74 1.9515 0 5 1 49.82 2.11 1.8304 0 1 3 52.73 1.30 1.7360 0 6 0 53.00 18.98 1.7277 3 1 2 54.10 4.01 1.6951 1 2 3 54.29 2.74 1.6898 2 5 1 54.32 7.72 1.6888 4 0 0 55.41 14.82 1.6582 2 4 2 56.82 2.63 1.6203 1 5 2 57.25 1.60 1.6093 2 1 3 57.36 1.26 1.6064 4 2 0 59.06 1.01 1.5641 3 3 2 59.91 3.94 1.5440 2 6 0 60.55 1.93 1.5291 3 5 0 63.08 3.12 1.4738 0 6 2 65.93 1.43 1.4169 4 4 0 67.12 4.51 1.3945 0 0 4 67.26 4.20 1.3920 4 2 2 69.41 1.58 1.3541 1 1 4 69.60 1.72 1.3508 2 6 2 70.19 4.44 1.3408 3 5 2 70.26 1.77 1.3398 5 1 0 70.55 2.09 1.3349 3 6 1 73.48 1.13 1.2887 1 7 2 73.85 2.01 1.2832 2 5 3 74.69 1.94 1.2709 1 3 4 75.73 1.49 1.2559 3 4 3 77.67 2.26 1.2293 0 4 4 84.90 1.88 1.1421 1 5 4 85.65 1.66 1.1341 3 7 2 85.71 1.96 1.1335 5 5 0 87.94 3.85 1.1104 4 6 2 89.13 1.18 1.0986 2 7 3 89.25 1.31 1.0974 6 1 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.