Dugganite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060498 Lam A E, Groat L A, Ercit T S The Canadian Mineralogist 36 (1998) 823-830 The crystal structure of dugganite, Pb3Zn3TeAs2O14 CELL PARAMETERS: 8.4520 8.4520 5.2020 90.000 90.000 120.000 SPACE GROUP: P321 ATOM X Y Z OCCUPANCY ISO(B) Te 0.00000 0.00000 0.00000 1.000 2.020 As 0.00000 10.66667 0.52940 1.000 2.217 Pb 0.59470 20.00000 0.00000 1.000 2.724 Zn 0.24600 60.00000 0.50000 1.000 2.358 O 0.12000 2.21200 0.21700 1.000 2.682 O 0.46000 7.20000 0.33900 1.000 4.995 O 0.00000 10.66667 0.23900 1.000 3.902 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 360.6007707 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.09 5.60 7.3196 1 0 0 20.95 1.17 4.2402 0 1 1 21.02 100.00 4.2260 1 1 0 24.32 10.74 3.6598 2 0 0 27.19 6.81 3.2801 1 1 1 29.85 16.49 2.9933 0 2 1 29.85 13.97 2.9933 2 0 1 32.36 11.77 2.7666 2 1 0 34.48 14.11 2.6010 0 0 2 36.80 2.05 2.4426 1 2 1 36.80 1.45 2.4426 2 1 1 36.84 23.12 2.4399 3 0 0 40.73 17.94 2.2151 1 1 2 42.65 3.55 2.1201 0 2 2 42.65 2.43 2.1201 2 0 2 42.80 9.76 2.1130 2 2 0 44.64 6.68 2.0301 3 1 0 46.38 5.40 1.9577 2 2 1 48.01 4.36 1.8950 1 2 2 48.01 3.67 1.8950 2 1 2 48.11 5.03 1.8912 1 3 1 48.11 5.32 1.8912 3 1 1 51.34 6.28 1.7795 0 3 2 51.34 6.84 1.7795 3 0 2 54.66 2.37 1.6792 3 2 0 56.08 4.03 1.6400 2 2 2 57.60 2.07 1.6003 1 3 2 57.60 1.98 1.6003 3 1 2 57.69 3.01 1.5980 2 3 1 57.69 3.28 1.5980 3 2 1 57.72 2.14 1.5973 4 1 0 58.94 1.25 1.5670 0 2 3 58.94 1.60 1.5670 2 0 3 60.65 2.18 1.5269 1 4 1 60.65 2.02 1.5269 4 1 1 63.55 2.35 1.4639 5 0 0 66.33 1.17 1.4092 0 5 1 66.33 1.30 1.4092 5 0 1 66.36 1.70 1.4087 3 3 0 70.43 1.09 1.3368 4 2 1 71.56 1.15 1.3185 3 1 3 71.56 1.23 1.3185 1 3 3 72.71 1.30 1.3005 0 0 4 74.36 1.31 1.2757 0 5 2 74.36 1.35 1.2757 5 0 2 76.66 1.92 1.2430 1 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.