Thenardite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040178 Hawthorne F C, Ferguson R B The Canadian Mineralogist 13 (1975) 181-187 Anhydrous sulphates. I: Refinement of the crystal structure of celestite with an appendix on the structure of thenardite CELL PARAMETERS: 9.8210 12.3066 5.8605 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: Fddd ATOM X Y Z OCCUPANCY ISO(B) Na 0.44160 0.12500 0.12500 1.000 1.511 S 0.12500 0.12500 0.12500 1.000 0.847 O 0.21380 0.05720 0.97930 1.000 1.432 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 11 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 13.02470741 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.05 57.49 4.6581 1 1 1 23.17 13.41 3.8381 2 2 0 28.06 42.40 3.1797 1 3 1 29.02 37.63 3.0766 0 4 0 32.15 100.00 2.7839 3 1 1 33.88 44.68 2.6456 0 2 2 38.39 5.23 2.3450 3 3 1 38.66 21.10 2.3291 2 2 2 40.81 3.58 2.2110 1 5 1 47.37 3.25 1.9191 4 4 0 48.06 1.72 1.8932 1 1 3 48.07 1.32 1.8926 2 6 0 48.83 39.41 1.8650 3 5 1 49.50 5.58 1.8414 5 1 1 50.73 5.51 1.7997 4 2 2 54.62 15.63 1.6803 0 6 2 55.27 9.55 1.6622 3 1 3 57.40 5.38 1.6054 4 4 2 58.01 2.06 1.5898 2 6 2 58.33 1.80 1.5818 6 2 0 59.54 13.07 1.5527 3 3 3 61.31 2.55 1.5119 1 5 3 61.97 6.27 1.4974 3 7 1 65.30 6.61 1.4290 6 0 2 67.58 2.76 1.3862 3 5 3 68.12 1.17 1.3764 5 1 3 71.29 4.87 1.3228 0 4 4 72.51 2.25 1.3036 4 8 0 73.00 5.86 1.2960 6 4 2 73.04 1.76 1.2954 1 7 3 73.09 2.51 1.2947 7 3 1 74.11 7.19 1.2794 6 6 0 75.58 1.74 1.2581 4 0 4 77.36 1.50 1.2335 3 9 1 78.87 2.64 1.2137 3 7 3 85.59 2.20 1.1347 7 1 3 85.60 2.50 1.1347 0 10 2 89.08 1.07 1.0991 3 1 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.