Stannoidite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R160066 Kudoh Y, Takeuchi Y Zeitschrift fur Kristallographie 144 (1976) 145-160 The superstructure of stannoidite Locality: Konjo mine, Japan _database_code_amcsd 0010783 CELL PARAMETERS: 10.8217 5.4103 16.1121 90.000 90.000 90.000 SPACE GROUP: I222 ATOM X Y Z OCCUPANCY ISO(B) Zn 0.00000 0.00000 0.00000 0.850 1.183 Fe 0.00000 0.00000 0.00000 0.150 1.183 Cu 0.50000 0.00000 0.00000 1.000 1.730 Cu 0.00000 0.00000 0.50000 1.000 1.653 Cu 0.25110 0.00000 0.50000 1.000 1.299 Fe 0.00000 0.00000 0.32980 1.000 0.942 Sn 0.00000 0.50000 0.16930 1.000 0.435 Cu 0.24650 0.01070 0.16950 1.000 1.597 S 0.13080 0.24430 0.08260 1.000 0.987 S 0.37920 0.75580 0.08010 1.000 0.968 S 0.12940 0.74880 0.25460 1.000 0.839 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 4 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 114.7597200 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 16.38 2.33 5.4109 2 0 0 17.29 2.03 5.1289 0 1 1 18.44 6.08 4.8108 1 0 3 21.42 4.14 4.1483 1 1 2 23.91 1.82 3.7224 2 1 1 28.65 100.00 3.1161 2 1 3 28.84 1.73 3.0959 1 1 4 29.84 1.64 2.9945 3 0 3 31.82 1.85 2.8125 3 1 2 33.11 6.42 2.7054 4 0 0 33.12 6.34 2.7051 0 2 0 33.37 6.24 2.6854 0 0 6 36.45 1.47 2.4647 2 1 5 37.37 1.05 2.4067 3 1 4 38.17 2.02 2.3579 1 2 3 47.53 22.80 1.9129 4 2 0 47.72 22.38 1.9059 4 0 6 47.72 22.40 1.9058 0 2 6 56.44 11.57 1.6303 6 1 3 56.45 11.55 1.6302 2 3 3 56.78 11.20 1.6215 2 1 9 59.31 3.96 1.5580 4 2 6 69.49 2.89 1.3527 8 0 0 69.50 2.90 1.3526 0 4 0 70.08 2.75 1.3427 0 0 12 76.82 3.78 1.2408 6 3 3 77.11 3.69 1.2369 6 1 9 77.11 3.69 1.2369 2 3 9 88.67 5.14 1.1031 8 2 6 88.68 5.16 1.1030 4 4 6 89.09 5.01 1.0990 4 2 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.