Susannite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070704 Bindi L, Menchetti S American Mineralogist 90 (2005) 1641-1647 Structural changes accompanying the phase transformation between leadhillite and susannite: a structural study by means of in situ high-temperature single- crystal X-ray diffraction Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran Sample: T = 82C CELL PARAMETERS: 9.0710 9.0710 11.5720 90.000 90.000 120.000 SPACE GROUP: P3 ATOM X Y Z OCCUPANCY ISO(B) Pb 0.66770 0.98810 0.02000 1.000 3.000 Pb 0.34810 0.01360 0.81600 1.000 2.842 Pb 0.67100 0.94580 0.59200 1.000 2.842 Pb 0.66070 0.61170 0.24100 1.000 2.763 S 0.66667 0.33333 0.43000 1.000 3.316 S 0.33333 0.66667 0.41000 1.000 4.027 S 0.00000 0.00000 0.41000 1.000 4.027 C 0.00000 0.00000 0.07000 1.000 2.290 C 0.33333 0.66667 0.07000 1.000 2.448 C 0.66667 0.33333 0.05000 1.000 2.448 C 0.33333 0.66667 0.78000 1.000 2.448 C 0.00000 0.00000 0.78000 1.000 2.369 C 0.66667 0.33333 0.76000 1.000 2.290 O 0.66000 0.03000 0.21400 1.000 4.422 O 0.36000 0.03000 0.60700 1.000 3.948 O 0.86000 -0.14000 0.06000 1.000 5.132 O 0.47000 -0.32000 0.06000 1.000 5.369 O 0.66000 0.47000 0.04000 1.000 5.369 O 0.48000 -0.19000 0.77000 1.000 4.737 O 0.99800 -0.14000 0.77000 1.000 4.816 O 0.52000 0.33000 0.75000 1.000 5.053 O 0.66667 0.33333 0.31000 1.000 4.185 O 0.83000 0.38000 0.46000 1.000 3.948 O 0.33333 0.66667 0.53000 1.000 4.895 O 0.51000 0.76000 0.37000 1.000 4.974 O 0.00000 0.00000 0.53000 1.000 5.448 O 0.17000 0.11100 0.37000 1.000 4.816 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 235.2632136 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.64 9.35 11.5720 0 0 1 13.62 2.08 6.4996 0 1 1 13.62 1.95 6.4996 1 0 1 15.31 1.82 5.7860 0 0 2 19.05 1.75 4.6587 0 1 2 19.05 1.75 4.6587 1 0 2 19.57 20.71 4.5355 1 1 0 21.04 5.99 4.2227 1 1 1 23.92 2.27 3.7194 0 2 1 23.92 2.00 3.7194 2 0 1 24.95 32.59 3.5695 2 -1 2 24.95 67.41 3.5695 1 1 2 27.45 2.77 3.2498 0 2 2 27.45 3.18 3.2498 2 0 2 30.10 6.24 2.9692 1 2 0 30.10 5.26 2.9692 2 1 0 30.42 2.25 2.9384 1 1 3 30.42 30.54 2.9384 2 -1 3 30.91 7.99 2.8930 0 0 4 34.24 35.64 2.6186 3 0 0 35.14 1.30 2.5540 0 3 1 35.14 1.79 2.5540 3 0 1 36.85 4.02 2.4391 2 -1 4 38.25 1.76 2.3529 1 2 3 38.25 1.49 2.3529 2 1 3 38.25 1.16 2.3529 3 -1 3 38.91 8.67 2.3144 0 0 5 39.75 4.09 2.2678 2 2 0 40.54 2.00 2.2254 2 2 1 41.44 1.61 2.1788 1 3 0 41.44 1.47 2.1788 3 1 0 42.21 1.17 2.1412 3 1 1 42.83 11.55 2.1114 4 -2 2 42.83 8.31 2.1114 2 2 2 43.92 8.38 2.0615 1 1 5 44.43 2.68 2.0390 -1 4 2 44.43 2.07 2.0390 4 -1 2 46.45 2.21 1.9549 4 -2 3 46.45 4.17 1.9549 2 2 3 46.79 3.72 1.9414 0 3 4 46.79 3.89 1.9414 3 0 4 47.95 1.02 1.8971 3 1 3 48.98 1.44 1.8597 0 4 2 48.98 1.62 1.8597 4 0 2 52.79 6.16 1.7341 0 3 5 52.79 6.04 1.7341 3 0 5 53.23 1.69 1.7207 2 3 2 53.23 1.09 1.7207 3 2 2 53.45 1.00 1.7143 1 4 0 55.94 1.69 1.6436 -1 5 2 55.94 1.88 1.6436 1 4 2 55.94 1.85 1.6436 4 1 2 55.94 1.45 1.6436 5 -1 2 56.84 1.37 1.6198 4 -2 5 58.96 1.24 1.5665 -1 5 3 58.96 1.27 1.5665 5 -1 3 59.52 3.02 1.5532 1 1 7 59.52 4.83 1.5532 2 -1 7 61.32 2.32 1.5118 3 3 0 62.57 1.26 1.4846 4 2 0 70.49 1.27 1.3359 4 -2 7 70.49 1.47 1.3359 2 2 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.