Thenardite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040183 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: 9.8196 12.3047 5.8613 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 1.431 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: 13.02574232 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 19.05 57.51 4.6583 1 1 1 23.18 13.41 3.8376 2 2 0 28.06 42.40 3.1795 1 3 1 29.03 37.62 3.0762 0 4 0 32.16 100.00 2.7837 3 1 1 33.88 44.70 2.6458 0 2 2 38.39 5.23 2.3448 3 3 1 38.66 21.11 2.3291 2 2 2 40.82 3.58 2.2108 1 5 1 47.38 3.25 1.9188 4 4 0 48.05 1.72 1.8934 1 1 3 48.08 1.32 1.8923 2 6 0 48.84 39.40 1.8648 3 5 1 49.51 5.58 1.8412 5 1 1 50.73 5.51 1.7996 4 2 2 54.62 15.63 1.6802 0 6 2 55.26 9.55 1.6623 3 1 3 57.40 5.38 1.6053 4 4 2 58.02 2.06 1.5897 2 6 2 58.34 1.80 1.5816 6 2 0 59.53 13.07 1.5528 3 3 3 61.31 2.55 1.5119 1 5 3 61.98 6.27 1.4972 3 7 1 65.30 6.61 1.4289 6 0 2 67.58 2.76 1.3862 3 5 3 68.12 1.17 1.3764 5 1 3 71.29 4.88 1.3229 0 4 4 72.52 2.25 1.3034 4 8 0 73.01 5.86 1.2959 6 4 2 73.05 1.76 1.2953 1 7 3 73.10 2.51 1.2945 7 3 1 74.12 7.19 1.2792 6 6 0 75.57 1.74 1.2582 4 0 4 77.38 1.49 1.2333 3 9 1 78.87 2.64 1.2136 3 7 3 85.60 2.20 1.1346 7 1 3 85.61 2.50 1.1345 0 10 2 89.07 1.07 1.0992 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.