Calaverite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070397 Schutte W J, de Boer J L Acta Crystallographica B44 (1988) 486-494 Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 Locality: Cripple Creek, Colorado Sample: T = 298 K CELL PARAMETERS: 7.1980 4.4140 5.0710 90.000 90.020 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Au 0.00000 0.00000 0.00000 0.900 1.010 Ag 0.00000 0.00000 0.00000 0.100 1.010 Te 0.68940 0.00000 0.28880 1.000 3.584 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 4 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 356.7218381 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.49 17.30 5.0710 0 0 1 23.64 10.23 3.7628 1 1 0 29.56 100.00 3.0215 1 1 1 30.45 38.85 2.9354 -2 0 1 30.46 1.53 2.9345 2 0 1 40.89 18.77 2.2070 0 2 0 42.90 29.02 2.1080 3 1 0 43.01 24.31 2.1029 -1 1 2 43.02 5.53 2.1025 1 1 2 43.66 6.19 2.0731 -2 0 2 43.68 14.47 2.0724 2 0 2 44.79 3.40 2.0236 0 2 1 46.66 7.96 1.9467 -3 1 1 50.73 2.34 1.7995 4 0 0 51.83 13.94 1.7640 -2 2 1 54.08 6.72 1.6957 4 0 1 54.27 4.80 1.6903 0 0 3 59.99 4.98 1.5420 -1 1 3 60.52 1.26 1.5298 2 0 3 61.35 3.84 1.5110 -2 2 2 61.37 8.34 1.5108 2 2 2 63.37 1.99 1.4677 -4 0 2 67.11 1.82 1.3947 4 2 0 67.56 5.88 1.3866 1 3 1 69.97 4.96 1.3446 4 2 1 70.13 3.65 1.3420 0 2 3 71.38 2.97 1.3215 -5 1 1 71.39 1.16 1.3213 5 1 1 71.54 2.15 1.3189 -3 1 3 71.56 4.37 1.3185 3 1 3 74.90 1.27 1.2677 0 0 4 75.64 1.19 1.2573 2 2 3 75.85 3.47 1.2543 3 3 0 75.93 3.00 1.2532 -1 3 2 77.46 1.41 1.2322 -4 0 3 78.22 1.85 1.2221 -4 2 2 78.56 1.33 1.2176 -3 3 1 79.58 2.32 1.2046 -5 1 2 79.61 3.11 1.2042 5 1 2 79.84 2.02 1.2013 1 1 4 79.97 1.11 1.1997 6 0 0 88.63 1.09 1.1035 0 4 0 89.06 1.42 1.0993 0 2 4 89.31 1.24 1.0969 -1 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.