Sternbergite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110137 Pertlik F Neues Jahrbuch fur Mineralogie, Monatshefte 1987 (1987) 458-464 Crystal structure of sternbergite, AgFe2S3 Locality: Medenec, Krusne hory Mts, Czechoslovakia _database_code_amcsd 0014818 CELL PARAMETERS: 6.6370 11.6850 12.7180 90.000 90.000 90.000 SPACE GROUP: Ccmb ATOM X Y Z OCCUPANCY ISO(B) Ag 0.85310 0.00000 0.69960 1.000 2.966 Fe 0.83350 0.33510 0.56350 1.000 1.405 S 0.69520 0.00000 0.88000 1.000 2.269 S 0.66580 0.17860 0.61790 1.000 1.858 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 10 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 37.85342852 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.16 11.35 5.8425 0 2 0 16.87 2.10 5.2553 1 1 1 20.64 100.00 4.3023 0 2 2 26.08 25.39 3.4166 1 1 3 26.87 32.78 3.3185 2 0 0 27.46 65.81 3.2479 1 3 1 27.78 19.61 3.2110 2 0 1 28.06 6.52 3.1795 0 0 4 30.09 6.19 2.9703 1 3 2 30.38 1.05 2.9420 2 0 2 30.60 3.97 2.9213 0 4 0 31.80 29.49 2.8140 2 2 1 32.05 3.18 2.7927 0 2 4 32.14 64.33 2.7848 1 1 4 33.77 26.39 2.6545 0 4 2 34.05 9.92 2.6329 1 3 3 34.12 5.72 2.6277 2 2 2 37.71 19.25 2.3854 2 2 3 38.69 12.94 2.3275 1 1 5 39.24 2.23 2.2958 2 0 4 41.80 7.56 2.1608 2 4 1 42.18 1.08 2.1426 3 1 1 42.65 2.15 2.1197 0 0 6 43.45 1.20 2.0828 1 5 2 43.67 2.69 2.0729 2 4 2 44.02 1.97 2.0569 3 1 2 44.90 11.12 2.0188 2 0 5 45.52 3.82 1.9926 0 2 6 45.59 2.72 1.9897 1 1 6 46.43 3.02 1.9557 1 5 3 46.64 14.42 1.9476 2 4 3 46.64 26.08 1.9475 0 6 0 46.98 10.77 1.9343 3 1 3 47.66 2.88 1.9081 2 2 5 47.82 41.43 1.9020 3 3 1 49.50 1.19 1.8413 3 3 2 50.37 12.01 1.8116 1 5 4 50.94 40.38 1.7926 1 3 6 52.22 5.41 1.7518 3 3 3 53.40 2.02 1.7156 0 4 6 54.64 5.76 1.6796 2 6 0 55.13 4.21 1.6658 1 5 5 55.16 4.40 1.6652 2 6 1 55.32 1.31 1.6608 2 4 5 55.37 4.32 1.6593 4 0 0 55.62 8.32 1.6525 3 1 5 57.68 3.60 1.5981 1 3 7 57.86 6.07 1.5936 2 0 7 58.02 1.59 1.5898 0 0 8 59.73 3.55 1.5481 4 2 2 61.29 1.77 1.5124 1 7 3 61.75 2.50 1.5024 3 5 3 62.14 1.94 1.4938 4 2 3 64.60 5.92 1.4426 1 7 4 65.58 2.04 1.4236 0 8 2 66.45 2.32 1.4070 4 4 2 66.74 4.77 1.4016 2 6 5 67.38 2.61 1.3897 4 0 5 68.73 2.20 1.3658 4 4 3 68.73 1.01 1.3657 1 7 5 69.16 4.26 1.3583 3 5 5 70.88 1.81 1.3295 2 8 1 71.42 4.31 1.3209 3 3 7 72.73 2.62 1.3001 2 0 9 74.67 2.27 1.2712 3 7 3 74.90 1.72 1.2678 1 9 1 75.23 2.35 1.2630 4 6 0 76.13 1.51 1.2504 5 3 1 76.68 1.24 1.2427 0 2 10 77.37 3.52 1.2333 2 6 7 77.51 1.01 1.2315 0 6 8 77.98 1.44 1.2252 4 0 7 78.51 2.81 1.2183 5 1 4 80.80 3.20 1.1894 1 3 10 81.55 1.11 1.1804 3 7 5 82.77 1.15 1.1661 0 4 10 85.92 2.03 1.1312 4 6 5 87.44 3.74 1.1154 3 9 1 88.36 1.72 1.1062 6 0 0 89.81 4.00 1.0921 1 9 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.