Suredaite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070191 Paar W H, Miletich R, Topa D, Criddle A J, De Brodtkorb M K, Amthauer G, Tippelt G American Mineralogist 85 (2000) 1066-1075 Suredaite, PbSnS3, a new mineral species, from the Pirquitas Ag-Sn deposit, NW-Argentina: Mineralogy and crystal structure CELL PARAMETERS: 8.7800 3.7670 13.9800 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Pb 0.50300 0.75000 0.17050 0.920 2.515 Sn 0.50300 0.75000 0.17050 0.080 2.515 Sn 0.16550 0.25000 0.05210 0.990 1.167 Fe 0.16550 0.25000 0.05210 0.010 1.167 S -0.01140 0.75000 0.10620 1.000 1.360 S 0.33940 0.75000 -0.00660 1.000 1.049 S 0.28550 0.25000 0.21320 1.000 1.472 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 3 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 87.99987751 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.90 7.20 7.4352 1 0 1 16.21 24.73 5.4686 1 0 2 20.23 21.59 4.3900 2 0 0 21.21 1.38 4.1884 2 0 1 21.59 96.39 4.1162 1 0 3 23.94 31.96 3.7176 2 0 2 24.47 24.61 3.6373 0 1 1 26.53 18.68 3.3603 1 1 1 27.47 6.61 3.2472 1 0 4 27.92 12.19 3.1954 2 0 3 28.78 60.64 3.1022 1 1 2 30.51 3.73 2.9295 0 1 3 31.22 18.63 2.8646 3 0 1 31.29 13.24 2.8588 2 1 0 31.95 100.00 2.8008 2 1 1 32.75 20.26 2.7343 2 0 4 33.64 23.65 2.6642 1 0 5 33.88 25.88 2.6460 2 1 2 36.25 10.31 2.4784 3 0 3 36.53 19.27 2.4595 1 1 4 36.89 2.22 2.4368 2 1 3 38.16 5.32 2.3583 2 0 5 38.64 5.47 2.3300 0 0 6 40.04 6.67 2.2520 1 0 6 40.16 39.93 2.2451 0 1 5 40.78 1.89 2.2128 2 1 4 41.12 5.10 2.1950 4 0 0 41.14 3.71 2.1943 3 1 2 43.20 11.99 2.0942 4 0 2 44.00 10.94 2.0581 2 0 6 44.83 2.35 2.0217 3 0 5 45.37 4.26 1.9989 2 1 5 45.69 4.05 1.9857 4 0 3 46.64 3.78 1.9474 1 0 7 47.01 5.04 1.9330 1 1 6 47.14 52.16 1.9278 3 1 4 47.97 3.00 1.8965 4 1 0 48.32 20.11 1.8835 0 2 0 48.44 16.77 1.8793 4 1 1 49.01 3.91 1.8588 4 0 4 49.82 6.28 1.8304 4 1 2 50.18 2.09 1.8179 2 0 7 51.30 1.96 1.7808 1 2 2 52.06 2.72 1.7566 4 1 3 52.36 3.29 1.7475 0 0 8 52.90 2.43 1.7309 2 2 0 52.93 5.56 1.7299 1 1 7 53.04 2.09 1.7265 4 0 5 53.50 13.06 1.7127 1 2 3 53.83 1.15 1.7031 5 0 2 54.62 5.36 1.6802 2 2 2 55.96 6.56 1.6432 5 0 3 56.18 10.80 1.6372 2 1 7 56.48 1.61 1.6293 1 2 4 56.73 2.69 1.6226 2 2 3 57.70 3.57 1.5977 4 0 6 58.66 5.12 1.5738 3 2 1 58.84 2.10 1.5695 4 1 5 58.85 1.21 1.5691 5 0 4 59.23 9.23 1.5600 1 1 8 59.57 5.10 1.5519 5 1 2 59.60 5.25 1.5511 2 2 4 60.17 6.40 1.5380 1 2 5 60.53 1.78 1.5296 1 0 9 61.87 3.01 1.4996 3 2 3 62.45 3.12 1.4870 5 0 5 63.18 2.00 1.4717 2 2 5 63.51 1.80 1.4648 0 2 6 63.58 5.89 1.4633 6 0 0 64.31 1.87 1.4485 5 1 4 64.50 2.60 1.4448 1 2 6 65.28 1.79 1.4294 4 2 0 65.91 1.77 1.4172 1 1 9 66.80 4.98 1.4004 4 2 2 67.16 1.28 1.3939 3 1 8 67.40 4.47 1.3895 2 2 6 68.19 5.29 1.3752 4 1 7 68.37 9.86 1.3721 3 0 9 68.68 1.93 1.3666 4 2 3 69.20 2.68 1.3576 6 1 1 69.42 1.77 1.3539 1 2 7 71.28 1.94 1.3230 4 2 4 72.16 1.14 1.3091 6 1 3 72.23 1.15 1.3080 2 2 7 72.98 4.62 1.2963 1 1 10 74.00 1.77 1.2811 0 2 8 74.56 1.24 1.2727 4 2 5 75.60 1.57 1.2578 1 0 11 77.01 3.77 1.2382 5 2 3 77.93 6.60 1.2259 6 1 5 78.09 2.00 1.2238 1 3 2 78.50 2.07 1.2184 4 2 6 79.06 1.02 1.2112 7 0 3 79.73 3.98 1.2028 2 3 1 80.25 1.47 1.1962 3 1 10 80.51 1.45 1.1931 1 1 11 80.79 1.39 1.1896 2 3 2 80.97 1.05 1.1874 1 2 9 81.86 3.23 1.1767 5 1 8 82.16 2.17 1.1732 7 1 2 82.68 2.19 1.1671 5 2 5 83.69 4.32 1.1556 6 2 0 84.60 2.81 1.1455 0 3 5 86.37 1.09 1.1265 7 1 4 86.41 1.48 1.1260 2 0 12 87.81 1.29 1.1116 5 1 9 88.08 8.13 1.1090 3 2 9 89.42 5.17 1.0958 3 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.