Roquesite Brandt G, Rauber A, Schneider J Solid State Communications 12 (1973) 481-483 ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: chalcopyrite structure _database_code_amcsd 0015450 CELL PARAMETERS: 5.5230 5.5230 11.1200 90.000 90.000 90.000 SPACE GROUP: I-42d X-RAY WAVELENGTH: 1.541838 Cell Volume: 339.199 Density (g/cm3): 4.748 MAX. ABS. INTENSITY / VOLUME**2: 171.7559237 RIR: 11.779 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.93 4.83 4.9465 1 0 1 8 27.92 100.00 3.1958 1 1 2 4 29.01 3.80 3.0778 1 0 3 8 32.20 6.22 2.7800 0 0 4 2 32.42 12.90 2.7615 2 0 0 4 37.29 4.12 2.4112 2 1 1 8 43.89 1.10 2.0630 1 0 5 8 44.06 1.16 2.0554 2 1 3 8 46.34 35.03 1.9592 2 0 4 8 46.51 16.87 1.9527 2 2 0 4 50.23 1.22 1.8163 3 0 1 8 54.83 12.63 1.6744 1 1 6 4 55.12 24.35 1.6663 3 1 2 8 57.69 4.71 1.5979 2 2 4 4 65.99 1.02 1.4157 3 2 3 8 67.37 2.45 1.3900 0 0 8 2 67.88 4.33 1.3807 4 0 0 4 74.68 8.37 1.2711 3 1 6 8 74.92 4.07 1.2675 3 3 2 4 76.77 1.62 1.2416 2 0 8 8 77.13 1.82 1.2366 4 0 4 8 77.25 1.90 1.2350 4 2 0 8 85.81 4.25 1.1324 2 2 8 4 86.17 7.79 1.1286 4 2 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.