Leadhillite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050642 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 = 25C CELL PARAMETERS: 9.0300 20.8200 11.5400 90.000 90.010 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Pb 0.41786 0.17889 0.10828 1.000 1.999 Pb 0.42953 0.43245 0.10341 1.000 2.074 Pb 0.41429 0.69339 0.09389 1.000 1.985 Pb 0.40651 0.93851 0.10321 1.000 1.908 Pb 0.62598 0.04793 0.32112 1.000 1.845 Pb 0.55846 0.28260 0.33797 1.000 1.934 Pb 0.53538 0.57362 0.31877 1.000 2.076 Pb 0.60782 0.83185 0.31875 1.000 2.129 S 0.22970 0.07370 0.48790 1.000 3.395 S 0.23850 0.31750 0.51320 1.000 3.616 C 0.25500 0.05770 0.15830 1.000 1.500 C 0.25740 0.31270 0.14610 1.000 1.737 C 0.25130 0.56320 0.12350 1.000 1.579 C 0.24900 0.80980 0.15650 1.000 1.421 O 0.07330 0.08680 0.46620 1.000 4.422 O 0.10040 0.28110 0.54160 1.000 4.422 O 0.30010 0.13780 0.47540 1.000 3.711 O 0.20840 0.38660 0.51090 1.000 3.869 O 0.28440 0.02480 0.41100 1.000 4.343 O 0.29150 0.29270 0.39890 1.000 3.869 O 0.24130 0.05500 0.61430 1.000 3.948 O 0.34510 0.30450 0.60650 1.000 3.948 O 0.18510 0.00490 0.15070 1.000 4.185 O 0.18350 0.25830 0.15240 1.000 4.737 O 0.18320 0.50830 0.13040 1.000 3.632 O 0.17250 0.75810 0.13840 1.000 4.343 O 0.39470 0.05640 0.15050 1.000 4.658 O 0.40090 0.31030 0.14740 1.000 4.816 O 0.39450 0.56210 0.12420 1.000 4.106 O 0.38610 0.80610 0.14980 1.000 4.658 O 0.18260 0.11370 0.16360 1.000 4.422 O 0.18390 0.36640 0.13230 1.000 4.422 O 0.17280 0.61600 0.11870 1.000 3.869 O 0.18130 0.86720 0.15120 1.000 4.027 OH 0.46630 0.18400 0.29360 1.000 4.264 OH 0.38580 0.44810 0.28770 1.000 4.106 OH 0.38650 0.67140 0.28370 1.000 3.711 OH 0.46920 0.93540 0.29050 1.000 3.790 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 19 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 157.7154389 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.66 16.23 11.5400 0 0 1 13.15 2.70 6.7303 -1 1 1 13.16 1.80 6.7293 1 1 1 14.90 2.88 5.9474 0 3 1 15.36 3.25 5.7700 0 0 2 18.74 1.96 4.7351 -1 1 2 18.74 1.04 4.7344 1 1 2 19.66 11.68 4.5150 2 0 0 19.69 20.60 4.5095 1 4 0 20.01 3.35 4.4368 0 3 2 21.13 3.15 4.2049 -2 0 1 21.15 5.77 4.2001 1 4 1 22.70 3.02 3.9168 0 5 1 23.12 1.31 3.8467 0 0 3 24.76 2.11 3.5963 -2 3 1 24.76 2.84 3.5960 2 3 1 25.04 35.78 3.5561 -2 0 2 25.05 17.27 3.5555 2 0 2 25.06 34.03 3.5532 -1 4 2 25.06 65.97 3.5529 1 4 2 26.40 5.27 3.3766 0 5 2 28.20 2.93 3.1648 -2 3 2 28.20 3.11 3.1644 2 3 2 29.17 6.79 3.0610 2 5 0 30.00 4.29 2.9790 3 1 0 30.53 1.26 2.9283 -2 0 3 30.53 15.96 2.9278 2 0 3 30.54 27.87 2.9267 -1 4 3 30.55 3.10 2.9264 1 4 3 31.00 12.41 2.8850 0 0 4 31.67 6.08 2.8250 1 7 0 32.88 1.08 2.7244 1 1 4 34.42 36.70 2.6057 3 4 0 34.46 16.01 2.6025 0 8 0 35.31 1.93 2.5418 -3 4 1 35.31 1.59 2.5416 3 4 1 35.36 2.02 2.5387 0 8 1 36.98 2.42 2.4309 2 0 4 36.99 3.22 2.4303 -1 4 4 37.55 1.49 2.3950 2 5 3 38.21 1.45 2.3555 -3 1 3 39.03 13.83 2.3080 0 0 5 39.58 1.78 2.2769 1 7 3 39.94 2.04 2.2575 4 0 0 39.99 4.03 2.2547 2 8 0 40.24 2.75 2.2410 1 9 0 40.72 1.05 2.2156 -4 0 1 40.78 2.76 2.2129 2 8 1 42.09 1.76 2.1468 4 3 0 42.85 1.21 2.1106 -4 3 1 43.02 4.92 2.1024 -4 0 2 43.03 7.19 2.1022 4 0 2 43.07 10.90 2.1002 -2 8 2 43.07 8.20 2.1000 2 8 2 43.31 2.67 2.0890 -1 9 2 44.06 4.56 2.0552 -2 0 5 44.08 9.05 2.0545 1 4 5 45.06 1.59 2.0119 4 3 2 45.67 2.52 1.9864 -3 7 2 46.65 2.37 1.9471 -4 0 3 46.66 1.15 1.9468 4 0 3 46.69 3.11 1.9453 -2 8 3 46.70 4.18 1.9451 2 8 3 46.92 1.44 1.9363 1 9 3 46.99 3.95 1.9339 -3 4 4 46.99 4.18 1.9336 3 4 4 47.02 3.26 1.9324 0 8 4 48.51 1.56 1.8768 -4 5 2 48.51 1.35 1.8766 4 5 2 48.56 1.03 1.8747 -4 3 3 50.77 1.67 1.7984 0 11 2 51.65 1.35 1.7697 1 9 4 52.34 2.06 1.7480 3 9 2 53.00 6.38 1.7278 -3 4 5 53.01 6.66 1.7276 3 4 5 53.03 6.08 1.7268 0 8 5 53.18 1.04 1.7224 -4 3 4 53.33 1.40 1.7178 -5 1 2 54.43 1.47 1.6856 -1 12 1 56.22 2.23 1.6362 -5 4 2 56.22 2.18 1.6361 5 4 2 56.25 1.72 1.6354 -4 8 2 56.25 1.89 1.6353 4 8 2 56.27 1.00 1.6350 4 5 4 56.30 1.26 1.6341 -1 12 2 56.30 1.28 1.6341 1 12 2 57.11 1.34 1.6129 -2 8 5 59.24 1.07 1.5598 -5 4 3 59.25 1.53 1.5596 5 4 3 59.27 1.40 1.5591 -4 8 3 59.32 1.16 1.5579 -1 12 3 59.32 1.18 1.5578 1 12 3 59.71 1.72 1.5487 -2 0 7 59.72 2.80 1.5485 2 0 7 59.72 5.15 1.5484 -1 4 7 59.72 3.57 1.5483 1 4 7 59.94 1.08 1.5432 0 13 2 61.43 1.10 1.5094 2 13 0 61.63 1.31 1.5050 6 0 0 61.71 1.84 1.5032 3 12 0 70.80 1.47 1.3309 -2 8 7 70.80 1.49 1.3307 2 8 7 72.56 1.16 1.3028 6 8 0 75.47 1.09 1.2596 -3 12 5 81.13 1.00 1.1855 5 4 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.