Dussertite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070486 Kolitsch U, Slade P G, Tiekink E R T, Pring A Mineralogical Magazine 63 (1999) 17-26 The structure of antimonian dussertite and the role of antimony in oxysalt minerals Locality: Clara mine, Black Forest, Germany CELL PARAMETERS: 7.4050 7.4050 17.4590 90.000 90.000 120.000 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) Ba 0.00000 0.00000 0.00000 1.000 1.224 Fe 0.50000 0.00000 0.50000 0.840 1.074 Sb 0.50000 0.00000 0.50000 0.160 1.074 As 0.00000 0.00000 0.31047 1.000 1.003 O 0.00000 0.00000 0.59290 1.000 1.421 O 0.20990 0.79010 -0.05540 1.000 1.145 O 0.12600 0.87400 0.13660 1.000 1.034 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 72.29876153 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.72 39.49 6.0197 1 0 1 17.16 8.17 5.1682 0 1 2 24.04 31.22 3.7025 1 1 0 24.67 1.44 3.6083 1 0 4 28.30 15.70 3.1537 0 2 1 28.57 100.00 3.1239 1 1 3 29.68 12.07 3.0098 2 0 2 30.73 17.50 2.9098 0 0 6 34.71 16.85 2.5841 0 2 4 37.46 4.50 2.4008 2 1 1 38.55 1.18 2.3355 1 2 2 38.74 23.83 2.3245 1 0 7 39.38 5.65 2.2878 1 1 6 42.28 3.25 2.1376 3 0 0 42.67 2.24 2.1190 2 1 4 45.19 22.32 2.0066 0 3 3 45.19 6.80 2.0066 3 0 3 49.22 26.12 1.8513 2 2 0 50.59 2.10 1.8041 2 0 8 51.66 1.56 1.7695 1 3 1 52.66 6.61 1.7382 2 1 7 53.17 1.19 1.7227 0 3 6 53.17 1.24 1.7227 3 0 6 53.31 6.65 1.7183 1 1 9 54.47 1.66 1.6846 1 0 10 56.76 1.84 1.6218 1 2 8 57.75 1.15 1.5965 4 0 1 58.21 1.23 1.5849 3 1 5 58.54 2.86 1.5769 0 4 2 59.15 14.08 1.5619 2 2 6 60.37 13.30 1.5333 0 2 10 61.63 3.91 1.5049 4 0 4 63.45 1.47 1.4660 3 2 1 64.33 5.12 1.4481 1 3 7 64.91 3.11 1.4365 0 3 9 64.91 1.18 1.4365 3 0 9 65.63 1.25 1.4225 2 0 11 65.94 1.47 1.4167 2 1 10 66.86 3.29 1.3994 4 1 0 69.03 4.70 1.3606 1 4 3 69.03 6.96 1.3606 4 1 3 71.82 2.26 1.3145 1 0 13 74.94 5.63 1.2672 3 2 7 76.45 2.17 1.2459 1 3 10 79.37 1.08 1.2073 3 3 3 81.51 3.22 1.1809 4 0 10 82.03 3.74 1.1747 2 1 13 84.74 2.11 1.1439 2 2 12 85.57 1.00 1.1349 1 4 9 85.57 1.53 1.1349 4 1 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.