Szomolnokite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070620 Wildner M, Giester G Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306 The crystal structures of kieserite-type compounds. I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn) Locality: synthetic CELL PARAMETERS: 7.0770 7.5370 7.7650 90.000 118.650 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Fe 0.00000 0.50000 0.00000 1.000 1.307 S 0.00000 0.15307 0.25000 1.000 1.208 O 0.16970 0.04290 0.39850 1.000 1.777 O 0.09560 0.26830 0.15600 1.000 1.656 O 0.00000 0.64440 0.25000 1.000 1.639 H 0.10800 0.70900 0.31500 1.000 6.948 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 19.65111533 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.27 33.74 4.8560 -1 1 1 18.51 39.46 4.7930 1 1 0 23.61 9.80 3.7685 0 2 0 25.88 100.00 3.4430 -1 1 2 26.40 21.66 3.3763 1 1 1 27.04 31.26 3.2978 0 2 1 28.75 49.34 3.1053 2 0 0 34.78 15.85 2.5791 -2 2 1 35.52 44.68 2.5273 0 2 2 37.02 2.96 2.4280 -2 2 2 37.53 1.25 2.3965 2 2 0 37.63 4.81 2.3905 1 1 2 38.66 11.40 2.3290 1 3 0 40.45 19.82 2.2298 -3 1 2 42.92 8.25 2.1073 -1 3 2 43.25 3.30 2.0917 1 3 1 43.59 10.70 2.0762 -2 2 3 44.47 1.32 2.0371 2 2 1 45.43 13.30 1.9962 3 1 0 46.69 2.03 1.9454 0 2 3 46.95 6.17 1.9353 -2 0 4 48.30 3.47 1.8843 0 4 0 49.73 8.14 1.8335 -1 1 4 51.35 1.29 1.7794 1 3 2 51.68 2.49 1.7686 -4 0 2 53.21 5.79 1.7215 -2 2 4 53.59 1.60 1.7101 -3 3 2 53.81 2.30 1.7036 0 0 4 54.34 15.54 1.6881 2 2 2 55.75 8.47 1.6489 0 4 2 56.82 9.94 1.6204 -2 4 2 56.88 1.95 1.6187 -3 3 3 57.57 4.08 1.6011 -4 2 2 57.70 9.00 1.5977 3 3 0 58.11 7.60 1.5874 -4 0 4 58.93 1.97 1.5672 -4 2 3 59.54 2.16 1.5526 4 0 0 59.55 1.61 1.5523 0 2 4 59.64 1.05 1.5502 -4 2 1 61.38 7.71 1.5105 -1 3 4 62.45 1.12 1.4871 2 4 1 63.39 2.91 1.4674 -3 3 4 63.51 2.54 1.4649 1 5 0 63.60 2.44 1.4629 -4 2 4 64.04 3.56 1.4540 3 1 2 64.23 1.60 1.4502 0 4 3 64.47 1.24 1.4453 1 1 4 64.96 1.72 1.4356 4 2 0 66.57 2.64 1.4046 -1 5 2 67.94 1.17 1.3797 -5 1 2 70.26 1.08 1.3397 -5 1 4 70.62 2.75 1.3338 2 4 2 71.22 1.10 1.3240 -4 2 5 73.43 5.57 1.2895 -4 4 2 74.72 2.22 1.2704 1 3 4 75.00 2.06 1.2663 -3 5 2 75.27 1.14 1.2625 -4 4 1 75.42 3.03 1.2603 2 0 4 78.77 2.44 1.2149 -2 2 6 79.14 1.29 1.2101 -1 1 6 80.19 1.55 1.1969 -5 3 4 81.48 2.05 1.1812 -4 2 6 82.91 1.93 1.1645 2 6 0 84.54 1.77 1.1461 -5 1 6 87.64 1.29 1.1135 5 3 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.