Aphthitalite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050651 Okada K, Ossaka J Acta Crystallographica B36 (1980) 919-921 Structures of potassium sodium sulphate and tripotassium sodium disulphate CELL PARAMETERS: 5.6800 5.6800 7.3200 90.000 90.000 120.000 SPACE GROUP: P-3m1 ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.00000 0.00000 1.000 1.500 Na 0.00000 0.00000 0.50000 1.000 1.500 K 0.66667 0.33333 0.68310 1.000 1.500 S 0.66667 0.33333 0.23380 1.000 1.000 O 0.66667 0.33333 0.03160 1.000 1.000 O 0.80730 -0.80730 0.30180 1.000 1.000 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 19.82584875 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.02 / 18.06 8.50 / 4.25 4.9190 1 0 0 21.75 / 21.80 4.58 / 2.29 4.0828 0 1 1 21.75 / 21.80 17.16 / 8.58 4.0828 1 0 1 24.30 / 24.36 16.62 / 8.31 3.6600 0 0 2 30.42 / 30.49 8.11 / 4.06 2.9364 0 1 2 30.42 / 30.49 58.38 / 29.19 2.9364 1 0 2 31.47 / 31.55 100.00 / 50.00 2.8400 1 1 0 33.83 / 33.91 3.25 / 1.63 2.6477 1 1 1 36.50 / 36.60 6.64 / 3.32 2.4595 2 0 0 36.80 / 36.90 14.15 / 7.07 2.4400 0 0 3 38.58 / 38.68 2.34 / 1.17 2.3314 0 2 1 38.58 / 38.68 10.87 / 5.44 2.3314 2 0 1 41.27 / 41.37 3.94 / 1.97 2.1859 1 0 3 44.34 / 44.45 46.56 / 23.28 2.0414 0 2 2 49.19 / 49.32 5.38 / 2.69 1.8507 1 1 3 49.79 / 49.92 3.97 / 1.98 1.8300 0 0 4 52.81 / 52.95 2.33 / 1.17 1.7322 2 0 3 53.37 / 53.52 1.31 / 0.65 1.7152 0 1 4 55.38 / 55.53 12.15 / 6.08 1.6576 2 1 2 56.04 / 56.19 11.74 / 5.87 1.6397 3 0 0 57.56 / 57.71 1.70 / 0.85 1.6000 0 3 1 60.10 / 60.26 7.60 / 3.80 1.5383 1 1 4 63.29 / 63.46 2.68 / 1.34 1.4682 0 2 4 63.29 / 63.46 4.11 / 2.05 1.4682 2 0 4 65.70 / 65.89 13.79 / 6.89 1.4200 2 2 0 66.59 / 66.78 2.47 / 1.23 1.4032 1 0 5 68.94 / 69.14 1.04 / 0.52 1.3609 3 0 3 71.16 / 71.37 1.45 / 0.73 1.3239 2 2 2 72.40 / 72.61 2.26 / 1.13 1.3042 1 2 4 74.11 / 74.32 6.48 / 3.24 1.2784 1 3 2 75.51 / 75.73 2.71 / 1.35 1.2580 0 2 5 77.75 / 77.98 3.07 / 1.54 1.2273 2 2 3 78.21 / 78.44 2.50 / 1.25 1.2212 0 3 4 81.16 / 81.40 1.02 / 0.51 1.1841 1 0 6 82.72 / 82.97 3.33 / 1.67 1.1657 4 0 2 84.09 / 84.34 1.93 / 0.97 1.1502 1 2 5 84.09 / 84.34 1.09 / 0.54 1.1502 2 1 5 86.72 / 86.99 2.70 / 1.35 1.1219 2 2 4 89.62 / 89.91 1.97 / 0.98 1.0929 0 2 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.