Uchucchacuaite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100213 Yang H, Downs R T, Evans S H, Feinglos M N, Tait K T American Mineralogist 96 (2011) 1186-1189 Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with ramdohrite and fizelyite Note: Sample ID R100213 Locality: Uchuc-Chacua, Lima, Peru _database_code_amcsd 0018371 CELL PARAMETERS: 19.3650 12.7287 8.7571 90.000 90.059 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Pb 0.25569 0.90189 0.38932 1.000 1.842 Pb 0.24831 0.91430 -0.09676 1.000 2.051 Pb 0.05187 0.90209 0.62985 1.000 1.714 Mn 0.13248 0.14672 0.12630 0.901 1.749 Ag 0.13248 0.14672 0.12630 0.049 1.749 Sb 0.13248 0.14672 0.12630 0.049 1.749 Ag 0.14180 0.17609 0.62300 1.000 3.413 Sb 0.35239 0.12500 0.64424 1.000 1.465 Sb 0.44416 0.86816 0.61507 1.000 1.371 Sb 0.12858 0.64468 0.38406 1.000 1.308 Sb -0.05365 0.64186 0.63757 1.000 1.442 Sb 0.05504 0.88068 0.14369 1.000 1.362 S 0.39618 0.99378 -0.16787 1.000 1.465 S -0.00750 0.75035 0.84718 1.000 1.701 S 0.23547 0.04514 -0.35328 1.000 1.556 S 0.33934 0.76560 0.60393 1.000 1.529 S 0.10238 0.98922 0.93968 1.000 1.532 S 0.16465 0.76181 0.59014 1.000 1.452 S 0.40150 0.00041 0.42961 1.000 1.439 S -0.01717 0.76461 0.42988 1.000 1.463 S 0.25576 0.06069 0.13379 1.000 1.469 S -0.16685 0.72249 0.65532 1.000 1.447 S 0.09330 0.00701 0.33500 1.000 1.555 S 0.15984 0.76684 0.16766 1.000 1.413 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 17 +/- 11 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 80.60539162 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.31 1.90 10.6367 1 1 0 11.08 2.62 7.9822 -1 0 1 12.27 1.63 7.2146 0 1 1 14.65 16.79 6.0462 1 2 0 15.31 1.25 5.7876 -2 1 1 15.39 5.01 5.7570 3 1 0 16.67 3.87 5.3183 2 2 0 17.83 1.31 4.9747 1 2 1 18.45 1.22 4.8086 3 1 1 19.52 2.17 4.5468 -2 2 1 21.44 1.00 4.1446 1 3 0 21.46 1.67 4.1404 0 1 2 22.08 1.15 4.0261 -3 2 1 22.88 5.10 3.8862 2 3 0 23.08 5.76 3.8532 4 2 0 23.36 24.54 3.8083 -2 1 2 23.37 19.53 3.8056 2 1 2 25.07 1.34 3.5516 2 3 1 25.12 4.12 3.5458 1 2 2 25.55 28.77 3.4866 -3 1 2 25.57 34.79 3.4836 3 1 2 26.12 1.07 3.4112 5 1 1 26.95 100.00 3.3085 5 2 0 27.13 1.74 3.2871 -3 3 1 27.45 1.07 3.2491 -4 0 2 27.64 6.30 3.2275 6 0 0 27.96 1.34 3.1909 4 3 0 28.04 17.87 3.1822 0 4 0 28.35 1.93 3.1478 3 2 2 28.42 7.69 3.1401 1 4 0 29.31 2.73 3.0470 0 3 2 29.68 7.79 3.0103 -1 3 2 29.68 8.29 3.0096 1 3 2 29.87 1.45 2.9908 0 4 1 30.33 1.17 2.9471 -6 1 1 30.76 41.19 2.9071 -2 3 2 30.77 37.23 2.9059 2 3 2 31.07 15.38 2.8785 6 2 0 31.31 1.23 2.8573 2 4 1 32.48 18.49 2.7562 -3 3 2 32.50 19.57 2.7547 3 3 2 32.80 1.19 2.7305 -2 1 3 33.71 1.30 2.6592 4 4 0 34.54 1.49 2.5967 6 0 2 35.17 4.72 2.5515 1 4 2 36.10 1.60 2.4881 -2 4 2 36.55 1.14 2.4587 5 4 0 37.14 1.11 2.4206 8 0 0 37.99 1.83 2.3682 3 5 0 39.14 10.95 2.3013 -7 1 2 39.18 7.75 2.2992 7 1 2 39.78 3.85 2.2660 6 4 0 41.24 22.99 2.1893 0 0 4 41.28 1.18 2.1868 -1 5 2 42.14 1.50 2.1446 -1 1 4 43.02 1.19 2.1025 8 3 0 43.28 12.73 2.0906 -8 1 2 43.32 15.22 2.0888 8 1 2 43.34 1.31 2.0878 7 4 0 43.44 10.21 2.0834 -3 5 2 43.45 12.21 2.0827 3 5 2 43.68 1.72 2.0723 2 6 0 43.99 1.42 2.0583 1 2 4 44.28 1.11 2.0457 3 1 4 45.25 5.69 2.0039 -4 5 2 45.27 5.77 2.0031 4 5 2 46.22 1.25 1.9642 -3 6 1 46.75 7.36 1.9431 4 6 0 46.92 9.37 1.9365 10 0 0 47.67 1.42 1.9078 -2 3 4 47.76 1.07 1.9042 -4 2 4 47.98 7.78 1.8960 -8 3 2 48.02 8.79 1.8947 8 3 2 48.96 9.32 1.8606 5 6 0 49.93 13.92 1.8265 -5 2 4 49.97 13.18 1.8250 5 2 4 50.16 2.33 1.8187 -6 5 2 50.18 2.33 1.8179 6 5 2 50.41 1.23 1.8104 1 7 0 50.58 1.17 1.8047 4 3 4 50.61 7.80 1.8036 0 4 4 50.85 1.36 1.7957 1 4 4 51.11 1.03 1.7871 2 7 0 51.25 1.85 1.7824 9 4 0 51.44 1.98 1.7763 -4 6 2 52.49 1.03 1.7433 -6 2 4 52.54 1.49 1.7418 6 2 4 53.17 2.57 1.7227 -7 5 2 53.20 1.94 1.7218 7 5 2 54.05 3.20 1.6967 11 2 0 54.88 1.01 1.6730 1 7 2 55.54 2.10 1.6547 -2 7 2 55.54 1.11 1.6545 2 7 2 55.55 7.87 1.6543 10 4 0 55.97 1.42 1.6429 6 6 2 57.96 1.39 1.5911 0 8 0 58.18 2.81 1.5857 1 8 0 58.66 1.42 1.5739 6 4 4 64.06 1.79 1.4535 -4 6 4 64.09 1.25 1.4529 4 6 4 64.18 2.86 1.4512 -10 0 4 64.25 2.98 1.4497 10 0 4 65.03 1.20 1.4342 -2 1 6 65.23 1.12 1.4302 10 6 0 65.42 2.27 1.4265 -12 3 2 65.47 1.59 1.4257 12 3 2 65.86 2.56 1.4181 -5 6 4 65.90 2.77 1.4174 5 6 4 66.02 1.31 1.4151 -3 1 6 66.05 2.08 1.4144 3 1 6 66.71 3.24 1.4021 -13 1 2 66.76 3.21 1.4012 13 1 2 67.92 1.18 1.3800 -8 7 2 67.95 1.33 1.3795 8 7 2 68.69 1.90 1.3665 -2 3 6 68.71 1.10 1.3661 2 3 6 70.21 1.19 1.3405 11 2 4 70.37 1.09 1.3379 13 3 2 71.44 2.50 1.3204 -10 4 4 71.51 2.07 1.3193 10 4 4 73.78 1.11 1.2842 1 8 4 75.08 2.26 1.2652 15 2 0 76.64 1.45 1.2434 8 1 6 77.38 1.23 1.2333 13 5 2 79.13 1.08 1.2104 -7 9 2 80.07 1.25 1.1985 8 3 6 85.92 1.00 1.1313 16 4 0 89.41 1.14 1.0959 -15 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.