Tetrahedrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100204 Johnson M L, Burnham C W American Mineralogist 70 (1985) 165-170 Crystal structure refinement of an arsenic-bearing argentian tetrahedrite _database_code_amcsd 0000964 CELL PARAMETERS: 10.4910 10.4910 10.4910 90.000 90.000 90.000 SPACE GROUP: I-43m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.25000 0.50000 0.00000 0.633 1.189 Fe 0.25000 0.50000 0.00000 0.240 1.189 Cu 0.21600 0.00000 0.00000 0.647 5.063 Ag 0.21600 0.00000 0.00000 0.353 5.063 Sb 0.26830 0.26830 0.26830 0.675 1.013 As 0.26830 0.26830 0.26830 0.325 1.013 S 0.12380 0.12380 0.36610 1.000 2.509 S 0.00000 0.00000 0.00000 1.000 5.200 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 115.5298406 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.93 8.49 7.4183 1 1 0 16.90 2.08 5.2455 2 0 0 20.74 1.86 4.2829 2 1 1 23.99 6.64 3.7091 2 2 0 26.87 1.20 3.3175 3 1 0 29.49 100.00 3.0285 2 2 2 31.92 7.53 2.8038 3 2 1 34.19 20.87 2.6228 4 0 0 36.33 6.80 2.4728 4 1 1 36.33 1.26 2.4728 3 3 0 38.37 1.33 2.3459 4 2 0 40.32 3.81 2.2367 3 3 2 42.20 1.08 2.1415 4 2 2 44.01 4.08 2.0575 5 1 0 44.01 5.71 2.0575 4 3 1 47.47 4.50 1.9154 5 2 1 49.13 40.13 1.8546 4 4 0 50.74 1.45 1.7992 4 3 3 53.87 1.13 1.7019 5 3 2 53.87 4.66 1.7019 6 1 1 55.39 1.34 1.6588 6 2 0 56.88 1.66 1.6188 5 4 1 58.34 21.06 1.5816 6 2 2 59.79 2.10 1.5468 6 3 1 61.21 2.28 1.5142 4 4 4 62.61 1.10 1.4837 5 4 3 65.37 1.34 1.4276 6 3 3 70.71 1.32 1.3324 6 5 1 70.71 1.23 1.3324 7 3 2 72.01 3.42 1.3114 8 0 0 73.31 1.25 1.2914 8 1 1 73.31 1.01 1.2914 5 5 4 75.88 2.36 1.2539 6 5 3 78.42 2.36 1.2196 8 3 1 79.68 4.80 1.2034 6 6 2 82.18 1.30 1.1729 8 4 0 88.39 1.27 1.1058 8 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.