Dussertite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060398 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: 7.4120 7.4120 17.4580 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: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 16 MAX. ABS. INTENSITY / VOLUME**2: 72.16585790 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.70 39.50 6.0247 1 0 1 17.15 8.17 5.1713 0 1 2 24.01 31.24 3.7060 1 1 0 24.67 1.44 3.6092 1 0 4 28.27 15.71 3.1566 0 2 1 28.56 100.00 3.1259 1 1 3 29.66 12.08 3.0123 2 0 2 30.73 17.46 2.9097 0 0 6 34.69 16.85 2.5856 0 2 4 37.42 4.50 2.4031 2 1 1 38.51 1.18 2.3375 1 2 2 38.73 23.79 2.3247 1 0 7 39.37 5.65 2.2886 1 1 6 42.24 3.25 2.1397 3 0 0 42.64 2.24 2.1205 2 1 4 45.15 22.35 2.0082 0 3 3 45.15 6.81 2.0082 3 0 3 49.17 26.17 1.8530 2 2 0 50.58 2.10 1.8046 2 0 8 51.61 1.56 1.7711 1 3 1 52.63 6.60 1.7390 2 1 7 53.13 1.19 1.7238 0 3 6 53.13 1.24 1.7238 3 0 6 53.30 6.65 1.7186 1 1 9 54.47 1.65 1.6846 1 0 10 56.74 1.84 1.6225 1 2 8 57.69 1.15 1.5980 4 0 1 58.16 1.23 1.5860 3 1 5 58.48 2.86 1.5783 0 4 2 59.11 14.09 1.5630 2 2 6 60.36 13.29 1.5336 0 2 10 61.57 3.92 1.5062 4 0 4 63.39 1.47 1.4674 3 2 1 64.29 5.12 1.4490 1 3 7 64.88 3.11 1.4371 0 3 9 64.88 1.18 1.4371 3 0 9 65.62 1.24 1.4227 2 0 11 65.92 1.47 1.4171 2 1 10 66.78 3.30 1.4007 4 1 0 68.96 4.71 1.3618 1 4 3 68.96 6.98 1.3618 4 1 3 71.82 2.26 1.3145 1 0 13 74.88 5.64 1.2681 3 2 7 76.41 2.17 1.2465 1 3 10 79.28 1.08 1.2084 3 3 3 81.46 3.22 1.1815 4 0 10 82.01 3.74 1.1749 2 1 13 84.71 2.11 1.1443 2 2 12 85.51 1.00 1.1356 1 4 9 85.51 1.53 1.1356 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.