Proustite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060356 Allen S Phase Transition 6 (1985) 1-24 Phase transitions in proustite I. Structural studies Sample: T = 300 K Note: calculated Ag-S bondlengths do not match those reported CELL PARAMETERS: 10.8418 10.8418 8.7200 90.000 90.000 120.000 SPACE GROUP: R3c ATOM X Y Z OCCUPANCY ISO(B) Ag 0.24380 0.30350 0.23110 1.000 6.960 As 0.00000 0.00000 0.00000 1.000 2.340 S 0.21270 0.09250 0.37600 1.000 2.590 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 41.33138492 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.35 20.99 5.4209 1 1 0 22.48 4.86 3.9544 0 1 2 27.13 100.00 3.2870 2 1 1 27.93 74.96 3.1947 2 0 2 28.52 51.68 3.1298 3 0 0 32.53 98.50 2.7523 1 2 2 33.05 6.67 2.7104 2 2 0 35.03 93.24 2.5617 1 1 3 35.99 96.60 2.4952 1 3 1 40.34 23.77 2.2357 3 1 2 42.57 5.15 2.1235 1 0 4 43.26 17.03 2.0912 3 2 1 43.80 1.70 2.0668 0 4 2 44.20 7.95 2.0489 4 1 0 45.77 2.80 1.9823 2 2 3 45.90 6.65 1.9772 0 2 4 47.05 33.56 1.9312 2 3 2 49.04 13.95 1.8575 2 1 4 50.51 3.92 1.8070 3 3 0 52.64 8.46 1.7388 2 4 1 53.10 12.38 1.7247 5 0 2 54.82 1.62 1.6747 1 4 3 54.82 2.26 1.6747 4 1 3 54.93 20.25 1.6716 1 3 4 55.95 9.59 1.6435 4 2 2 57.71 7.46 1.5974 4 0 4 58.70 4.93 1.5728 1 5 2 59.01 3.77 1.5652 1 2 5 59.03 8.39 1.5649 6 0 0 60.31 1.63 1.5346 3 3 3 60.42 1.20 1.5322 3 2 4 60.95 3.22 1.5200 4 3 1 61.69 11.22 1.5035 5 2 0 63.99 2.88 1.4551 3 4 2 64.07 2.43 1.4533 0 0 6 64.28 5.13 1.4491 3 1 5 66.62 4.83 1.4038 1 1 6 68.14 2.69 1.3762 2 4 4 69.04 2.30 1.3604 6 1 2 69.33 1.16 1.3554 2 3 5 70.52 2.03 1.3354 2 5 3 70.52 1.41 1.3354 5 2 3 70.61 1.49 1.3339 5 1 4 73.55 1.31 1.2878 6 2 1 76.60 1.30 1.2438 4 2 5 76.62 1.18 1.2436 7 1 0 80.21 2.34 1.1968 1 6 4 81.13 1.43 1.1854 4 1 6 83.40 1.11 1.1589 4 5 2 84.79 1.23 1.1434 1 7 3 84.79 1.43 1.1434 7 1 3 85.80 1.21 1.1325 3 3 6 87.20 1.93 1.1178 6 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.