Uchucchacuaite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070760 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 R070760 Locality: Inakuraishi mine, Shakotan peninsula, Shiribeshi, Hokkaido Island, Japan _database_code_amcsd 0018372 CELL PARAMETERS: 19.3462 12.7251 8.7472 90.000 90.017 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Pb 0.25586 0.90166 0.38972 1.000 1.791 Pb 0.24825 0.91460 -0.09672 1.000 1.959 Pb 0.05180 0.90146 0.62997 1.000 1.593 Mn 0.13211 0.14680 0.12588 0.919 1.694 Ag 0.13211 0.14680 0.12588 0.041 1.694 Sb 0.13211 0.14680 0.12588 0.041 1.694 Ag 0.14163 0.17629 0.62300 1.000 3.364 Sb 0.35223 0.12524 0.64425 1.000 1.343 Sb 0.44411 0.86875 0.61565 1.000 1.266 Sb 0.12878 0.64473 0.38365 1.000 1.229 Sb -0.05359 0.64154 0.63753 1.000 1.298 Sb 0.05487 0.88067 0.14325 1.000 1.208 S 0.39626 0.99419 -0.16734 1.000 1.432 S -0.00740 0.74981 0.84770 1.000 1.559 S 0.23527 0.04558 -0.35350 1.000 1.475 S 0.33928 0.76619 0.60375 1.000 1.450 S 0.10245 0.98885 0.93949 1.000 1.506 S 0.16491 0.76177 0.59025 1.000 1.379 S 0.40142 0.00063 0.42987 1.000 1.262 S -0.01713 0.76437 0.43022 1.000 1.370 S 0.25571 0.06084 0.13438 1.000 1.392 S -0.16697 0.72155 0.65435 1.000 1.414 S 0.09300 0.00653 0.33590 1.000 1.572 S 0.15966 0.76696 0.16719 1.000 1.309 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: 81.05975033 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.32 1.77 10.6314 1 1 0 11.10 2.68 7.9713 -1 0 1 12.28 1.61 7.2084 0 1 1 14.66 16.94 6.0441 1 2 0 15.33 1.27 5.7807 -2 1 1 15.40 5.11 5.7523 3 1 0 16.68 3.87 5.3157 2 2 0 17.84 1.34 4.9723 1 2 1 18.46 1.21 4.8056 3 1 1 19.54 2.21 4.5430 -2 2 1 21.48 1.63 4.1361 0 1 2 22.10 1.11 4.0223 -3 2 1 22.89 5.05 3.8846 2 3 0 23.10 5.76 3.8504 4 2 0 23.39 24.61 3.8034 -2 1 2 23.39 19.49 3.8027 2 1 2 25.08 1.40 3.5501 2 3 1 25.13 4.20 3.5431 1 2 2 25.58 28.68 3.4820 -3 1 2 25.59 34.73 3.4811 3 1 2 26.14 1.11 3.4088 5 1 1 26.97 100.00 3.3059 5 2 0 27.15 1.76 3.2847 -3 3 1 27.49 1.09 3.2444 -4 0 2 27.67 6.27 3.2244 6 0 0 27.98 1.31 3.1890 4 3 0 28.05 18.04 3.1813 0 4 0 28.37 1.97 3.1458 3 2 2 28.43 7.67 3.1391 1 4 0 29.33 2.65 3.0449 0 3 2 29.70 7.93 3.0080 -1 3 2 29.70 8.32 3.0078 1 3 2 29.89 1.47 2.9897 0 4 1 30.37 1.16 2.9436 -6 1 1 30.78 41.33 2.9046 -2 3 2 30.79 37.46 2.9042 2 3 2 31.10 15.38 2.8761 6 2 0 31.32 1.17 2.8563 2 4 1 32.52 18.55 2.7536 -3 3 2 32.52 19.67 2.7532 3 3 2 32.84 1.14 2.7270 -2 1 3 33.72 1.33 2.6579 4 4 0 34.57 1.51 2.5949 6 0 2 35.19 4.61 2.5502 1 4 2 36.13 1.64 2.4864 -2 4 2 36.57 1.14 2.4573 5 4 0 37.18 1.10 2.4183 8 0 0 38.01 1.83 2.3673 3 5 0 39.20 11.04 2.2982 -7 1 2 39.21 7.84 2.2977 7 1 2 39.81 3.86 2.2646 6 4 0 41.28 23.15 2.1868 0 0 4 41.31 1.16 2.1857 -1 5 2 42.13 1.02 2.1450 -2 5 2 42.19 1.53 2.1420 -1 1 4 43.06 1.21 2.1008 8 3 0 43.34 12.78 2.0879 -8 1 2 43.35 15.33 2.0874 8 1 2 43.37 1.32 2.0864 7 4 0 43.47 10.30 2.0820 -3 5 2 43.47 12.34 2.0818 3 5 2 43.69 1.71 2.0716 2 6 0 44.04 1.42 2.0563 1 2 4 44.32 1.13 2.0439 3 1 4 45.29 5.72 2.0024 -4 5 2 45.29 5.84 2.0022 4 5 2 46.24 1.22 1.9633 -3 6 1 46.77 7.45 1.9423 4 6 0 46.97 9.43 1.9346 10 0 0 47.72 1.43 1.9057 -2 3 4 47.83 1.08 1.9017 -4 2 4 48.04 7.82 1.8939 -8 3 2 48.05 8.82 1.8935 8 3 2 48.98 9.53 1.8598 5 6 0 50.00 14.05 1.8241 -5 2 4 50.01 13.31 1.8237 5 2 4 50.20 2.36 1.8172 -6 5 2 50.21 2.34 1.8170 6 5 2 50.42 1.21 1.8099 1 7 0 50.62 1.18 1.8033 4 3 4 50.65 7.92 1.8021 0 4 4 50.89 1.35 1.7943 1 4 4 51.13 1.03 1.7866 2 7 0 51.30 1.86 1.7811 9 4 0 51.48 1.93 1.7752 -4 6 2 52.57 1.04 1.7410 -6 2 4 52.58 1.51 1.7406 6 2 4 53.22 2.62 1.7212 -7 5 2 53.22 1.99 1.7210 7 5 2 54.10 3.20 1.6952 11 2 0 54.90 1.01 1.6723 1 7 2 55.56 2.17 1.6540 -2 7 2 55.57 1.16 1.6539 2 7 2 55.60 8.03 1.6530 10 4 0 56.00 1.40 1.6422 6 6 2 57.98 1.44 1.5906 0 8 0 58.19 2.84 1.5853 1 8 0 58.70 1.44 1.5729 6 4 4 58.83 1.02 1.5696 2 8 0 64.12 1.82 1.4523 -4 6 4 64.13 1.27 1.4521 4 6 4 64.28 2.91 1.4492 -10 0 4 64.30 3.02 1.4488 10 0 4 65.12 1.24 1.4325 -2 1 6 65.28 1.13 1.4293 10 6 0 65.51 2.32 1.4249 -12 3 2 65.52 1.63 1.4247 12 3 2 65.93 2.66 1.4168 -5 6 4 65.94 2.86 1.4166 5 6 4 66.12 1.33 1.4133 -3 1 6 66.12 2.12 1.4131 3 1 6 66.80 3.28 1.4004 -13 1 2 66.82 3.26 1.4002 13 1 2 67.98 1.22 1.3791 -8 7 2 67.98 1.38 1.3789 8 7 2 68.78 1.94 1.3650 -2 3 6 68.78 1.13 1.3649 2 3 6 70.27 1.20 1.3396 11 2 4 70.43 1.11 1.3369 13 3 2 71.54 2.58 1.3188 -10 4 4 71.56 2.14 1.3185 10 4 4 73.83 1.14 1.2835 1 8 4 75.16 2.33 1.2640 15 2 0 76.71 1.50 1.2424 8 1 6 76.79 1.01 1.2413 3 5 6 77.44 1.26 1.2325 13 5 2 79.18 1.13 1.2097 -7 9 2 80.14 1.28 1.1976 8 3 6 86.01 1.02 1.1303 16 4 0 89.55 1.18 1.0945 -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.