Dawsonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120093 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 _database_code_amcsd 0005083 CELL PARAMETERS: 6.7320 10.3900 5.5620 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: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 9 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 15.59944116 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.69 100.00 5.6497 1 1 0 18.09 1.54 4.9036 0 1 1 26.48 13.13 3.3660 2 0 0 26.96 4.38 3.3069 1 2 1 28.99 4.44 3.0797 1 3 0 32.19 4.09 2.7810 0 0 2 32.26 58.26 2.7751 2 1 1 34.53 15.96 2.5975 0 4 0 35.99 13.38 2.4951 1 1 2 36.65 1.11 2.4518 0 2 2 40.61 2.06 2.2217 1 4 1 40.75 2.91 2.2143 2 3 1 42.15 18.15 2.1439 2 0 2 43.86 2.50 2.0640 1 3 2 44.03 1.39 2.0564 2 4 0 45.69 14.83 1.9856 1 5 0 45.78 1.35 1.9818 2 2 2 46.66 7.72 1.9466 0 5 1 49.97 2.10 1.8252 0 1 3 52.87 1.30 1.7317 0 6 0 53.18 18.88 1.7222 3 1 2 54.27 3.99 1.6902 1 2 3 54.45 2.73 1.6851 2 5 1 54.52 7.68 1.6830 4 0 0 55.58 14.77 1.6535 2 4 2 56.99 2.62 1.6160 1 5 2 57.43 1.60 1.6045 2 1 3 57.57 1.25 1.6011 4 2 0 59.26 1.01 1.5593 3 3 2 60.09 3.93 1.5398 2 6 0 60.75 1.93 1.5247 3 5 0 63.26 3.12 1.4700 0 6 2 66.16 1.42 1.4124 4 4 0 67.34 4.49 1.3905 0 0 4 67.50 4.18 1.3876 4 2 2 69.63 1.58 1.3502 1 1 4 69.82 1.71 1.3471 2 6 2 70.43 4.42 1.3369 3 5 2 70.53 1.76 1.3352 5 1 0 70.78 2.08 1.3311 3 6 1 73.71 1.12 1.2854 1 7 2 74.10 2.00 1.2796 2 5 3 74.93 1.93 1.2673 1 3 4 76.00 1.48 1.2522 3 4 3 77.93 2.25 1.2259 0 4 4 85.20 1.88 1.1390 1 5 4 85.94 1.66 1.1310 3 7 2 86.04 1.96 1.1299 5 5 0 88.26 3.85 1.1071 4 6 2 89.44 1.18 1.0956 2 7 3 89.63 1.30 1.0937 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.