Pirquitasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061016 Schumer B N, Downs R T, Domanik K J, Andrade M B, Origlieri M J Acta Crystallographica E69 (2013) i8-i9 Pirquitasite, Ag2ZnSnS4 Locality: Pirquitas, Jujuy Province, Argentina _database_code_amcsd 0019767 CELL PARAMETERS: 5.7760 5.7760 10.8700 90.000 90.000 90.000 SPACE GROUP: I-4 ATOM X Y Z OCCUPANCY ISO(B) Ag 0.00000 0.00000 0.00000 1.000 2.874 Ag 0.00000 0.50000 0.25000 0.870 2.377 Cu 0.00000 0.50000 0.25000 0.130 2.377 Zn 0.50000 0.00000 0.25000 0.610 1.737 Fe 0.50000 0.00000 0.25000 0.360 1.737 Cd 0.50000 0.00000 0.25000 0.030 1.737 Sn 0.50000 0.50000 0.00000 1.000 0.929 S 0.73250 0.25260 0.12847 1.000 1.690 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 178.5665618 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.31 1.21 5.4350 0 0 2 17.39 2.17 5.1006 1 0 1 21.76 1.57 4.0842 1 1 0 27.31 100.00 3.2651 1 1 2 30.96 14.20 2.8880 2 0 0 32.96 5.92 2.7175 0 0 4 35.19 1.06 2.5503 2 0 2 44.36 17.47 2.0421 2 2 0 45.85 31.25 1.9791 2 0 4 52.88 11.86 1.7314 1 3 2 52.88 11.85 1.7314 3 1 2 55.49 9.92 1.6561 1 1 6 56.36 4.11 1.6325 2 2 4 64.54 4.26 1.4440 4 0 0 69.13 1.65 1.3587 0 0 8 71.43 3.67 1.3206 3 3 2 73.65 3.27 1.2863 3 1 6 73.65 3.26 1.2863 1 3 6 74.40 1.38 1.2752 4 0 4 77.66 1.13 1.2295 2 0 8 82.73 3.30 1.1665 2 4 4 82.73 3.30 1.1665 4 2 4 85.92 2.95 1.1312 2 2 8 88.08 1.71 1.1089 1 5 2 88.08 1.71 1.1089 5 1 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.