Segnitite Diffraction data computed using the structure from listed below, along with the cell parameters refined from single crsytal data of R070492 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: 7.3300 7.3300 17.1600 90.000 90.000 120.000 SPACE GROUP: R-3m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.00000 0.00000 1.000 1.500 Fe 0.50000 0.00000 0.50000 1.000 0.700 As 0.00000 0.00000 0.31047 1.000 0.600 O 0.00000 0.00000 0.59290 1.000 1.000 O 0.20990 0.79010 -0.05540 1.000 1.000 O 0.12600 0.87400 0.13660 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 104.0158170 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.88 57.03 5.9537 1 0 1 15.49 7.07 5.7200 0 0 3 24.29 41.93 3.6650 1 1 0 25.05 6.91 3.5544 1 0 4 28.60 2.96 3.1210 0 2 1 28.93 100.00 3.0859 1 1 3 29.59 1.15 3.0190 0 1 5 30.02 13.16 2.9768 2 0 2 31.28 15.33 2.8600 0 0 6 35.17 16.36 2.5516 0 2 4 37.86 7.88 2.3762 2 1 1 38.98 4.63 2.3107 1 2 2 39.40 23.19 2.2868 1 0 7 39.99 10.55 2.2547 1 1 6 42.73 5.52 2.1160 3 0 0 43.20 5.51 2.0941 2 1 4 45.72 21.13 1.9846 0 3 3 45.72 7.82 1.9846 3 0 3 46.16 1.77 1.9664 1 2 5 49.76 22.49 1.8325 2 2 0 51.42 2.33 1.7772 2 0 8 52.23 2.77 1.7514 1 3 1 52.43 2.55 1.7451 2 2 3 53.44 7.88 1.7147 2 1 7 53.90 2.19 1.7010 0 3 6 53.90 2.23 1.7010 3 0 6 54.23 7.70 1.6915 1 1 9 55.47 2.64 1.6565 1 0 10 58.96 2.00 1.5665 3 1 5 59.21 2.83 1.5605 0 4 2 59.95 12.78 1.5429 2 2 6 61.42 11.24 1.5095 0 2 10 62.39 3.70 1.4884 4 0 4 64.18 2.09 1.4511 3 2 1 65.24 5.63 1.4300 1 3 7 65.95 1.50 1.4165 3 0 9 65.95 3.22 1.4165 0 3 9 67.05 2.49 1.3958 2 1 10 67.63 4.43 1.3852 4 1 0 69.87 5.16 1.3463 1 4 3 69.87 7.14 1.3463 4 1 3 73.24 2.38 1.2924 1 0 13 76.01 5.62 1.2520 3 2 7 76.39 1.42 1.2467 1 4 6 76.39 1.33 1.2467 4 1 6 77.71 2.83 1.2289 1 3 10 80.37 1.18 1.1947 3 3 3 82.85 2.91 1.1651 4 0 10 83.61 3.84 1.1565 2 1 13 86.29 2.05 1.1274 2 2 12 86.93 1.76 1.1207 4 1 9 86.93 1.27 1.1207 1 4 9 87.94 1.25 1.1104 3 2 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.