Famatinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110021 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: 5.3450 5.3450 10.6300 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: 143.3824169 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.68 1.14 5.3150 0 0 2 18.58 4.40 4.7753 1 0 1 23.54 1.25 3.7795 1 1 0 28.99 100.00 3.0801 1 1 2 30.26 1.32 2.9533 1 0 3 33.53 9.34 2.6725 2 0 0 33.73 4.61 2.6575 0 0 4 38.61 1.40 2.3321 2 1 1 48.15 17.34 1.8897 2 2 0 48.30 34.28 1.8844 2 0 4 57.19 21.99 1.6107 3 1 2 57.45 10.80 1.6042 1 1 6 60.08 2.79 1.5401 2 2 4 70.47 4.25 1.3362 4 0 0 70.93 2.07 1.3288 0 0 8 77.93 3.43 1.2259 3 3 2 78.16 6.78 1.2230 3 1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.