Trechmannite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130062 Matsumoto T, Nowacki W Zeitschrift fur Kristallographie 129 (1969) 163-177 The crystal structure of trechmannite, AgAsS2 Locality: Lengenbach quarry, Binnatal, Canton Wallis, Switzerland _database_code_amcsd 0010682 CELL PARAMETERS: 14.0030 14.0030 9.1430 90.000 90.000 120.000 SPACE GROUP: R-3 ATOM X Y Z OCCUPANCY ISO(B) Ag 0.33300 0.08220 0.98800 1.000 2.385 As 0.62220 0.17000 0.02270 1.000 1.710 S 0.36080 0.11010 0.49960 1.000 1.399 S 0.62430 0.17520 0.52190 1.000 1.446 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 95.57685502 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.64 10.58 7.0015 1 1 0 17.55 1.75 5.0532 0 2 1 20.77 13.91 4.2777 0 1 2 21.69 3.82 4.0975 3 -1 1 24.38 13.82 3.6503 2 0 2 25.44 1.15 3.5008 2 2 0 27.56 7.16 3.2368 -1 3 2 28.27 44.40 3.1566 -1 4 1 28.27 3.07 3.1566 1 3 1 29.30 11.87 3.0477 0 0 3 32.03 3.21 2.7944 2 -1 3 33.07 99.01 2.7092 3 1 2 33.67 1.11 2.6616 3 2 1 33.87 12.01 2.6463 4 1 0 35.53 1.06 2.5266 0 4 2 36.94 1.14 2.4335 3 0 3 37.86 4.00 2.3766 -2 5 2 38.58 3.08 2.3338 3 3 0 40.58 2.00 2.2230 2 4 1 44.21 2.17 2.0487 6 -2 2 44.21 1.07 2.0487 4 2 2 44.28 1.34 2.0455 3 -1 4 46.78 21.72 1.9419 2 5 0 46.78 3.51 1.9419 5 2 0 48.13 4.05 1.8905 1 3 4 48.13 24.62 1.8905 -1 4 4 49.97 3.21 1.8251 4 0 4 51.76 3.88 1.7661 3 2 4 53.45 2.32 1.7144 7 -1 2 55.56 4.55 1.6540 6 2 1 56.16 4.09 1.6377 7 -2 3 56.16 4.25 1.6377 2 5 3 56.83 3.05 1.6200 8 -3 2 56.83 1.62 1.6200 0 7 2 56.89 1.81 1.6184 2 4 4 57.35 3.24 1.6065 3 1 5 58.48 7.31 1.5783 -2 8 2 58.48 4.07 1.5783 2 6 2 58.54 1.02 1.5768 5 1 4 60.61 2.35 1.5279 6 3 0 60.78 3.33 1.5238 0 0 6 62.36 1.02 1.4890 2 -1 6 66.32 1.02 1.4094 7 2 2 69.38 3.08 1.3546 6 2 4 71.43 1.72 1.3205 -1 5 6 74.34 1.28 1.2759 6 -3 6 75.51 1.05 1.2591 1 9 1 76.65 1.73 1.2432 -2 9 4 78.02 1.31 1.2248 5 6 2 78.02 1.18 1.2248 10 -1 2 80.04 1.62 1.1988 7 -2 6 80.04 1.74 1.1988 2 5 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.