Famatinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110022 Pfitzner A, Bernert T Zeitschrift fur Kristallographie 219 (2004) 20-26 The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Locality: synthetic Sample: Cu3As0.3Sb0.7S4 _database_code_amcsd 0011106 CELL PARAMETERS: 5.3540 5.3540 10.6580 90.000 90.000 90.000 SPACE GROUP: I-42m ATOM X Y Z OCCUPANCY ISO(B) Sb 0.00000 0.00000 0.00000 0.736 0.940 As 0.00000 0.00000 0.00000 0.264 0.940 Cu 0.50000 0.00000 0.25000 1.000 1.840 Cu 0.50000 0.50000 0.00000 1.000 1.816 S 0.25010 0.25010 0.12730 1.000 1.271 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 142.4882069 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.64 1.14 5.3290 0 0 2 18.55 4.39 4.7843 1 0 1 23.50 1.25 3.7858 1 1 0 28.93 100.00 3.0863 1 1 2 30.19 1.33 2.9602 1 0 3 33.47 9.33 2.6770 2 0 0 33.64 4.61 2.6645 0 0 4 38.54 1.40 2.3362 2 1 1 48.07 17.35 1.8929 2 2 0 48.19 34.36 1.8885 2 0 4 57.08 22.02 1.6136 3 1 2 57.29 10.85 1.6081 1 1 6 59.94 2.80 1.5431 2 2 4 70.33 4.26 1.3385 4 0 0 70.71 2.08 1.3322 0 0 8 77.77 3.44 1.2280 3 3 2 77.96 6.81 1.2256 3 1 6 89.81 7.43 1.0920 4 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.