Cordierite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100141 Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A American Mineralogist 86 (2001) 66-79 Structural properties of ferromagnesian cordierites Sample:126231 Tanzania, T = 900 C, t = 24h _database_code_amcsd 0002612 CELL PARAMETERS: 17.0930 9.7273 9.3540 90.000 90.000 90.000 SPACE GROUP: Cccm ATOM X Y Z OCCUPANCY ISO(B) Mg 0.33750 0.00000 0.25000 0.908 0.512 Fe 0.33750 0.00000 0.25000 0.092 0.512 Al 0.25000 0.25000 0.25014 0.988 0.458 Fe 0.25000 0.25000 0.25014 0.012 0.458 Si 0.00000 0.50000 0.25000 1.000 0.370 Si 0.19241 0.07782 0.00000 1.000 0.331 Si 0.13509 -0.23748 0.00000 1.000 0.337 Al 0.05078 0.30787 0.00000 1.000 0.357 O 0.24706 -0.10275 0.35876 1.000 0.613 O 0.06229 -0.41607 0.34893 1.000 0.588 O -0.17325 -0.31013 0.35842 1.000 0.615 O 0.04320 -0.24863 0.00000 1.000 0.899 O 0.12219 0.18450 0.00000 1.000 0.898 O 0.16419 -0.07953 0.00000 1.000 0.874 Na 0.00000 0.00000 0.00000 0.086 5.211 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 15 +/- 8 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 11.11558131 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.35 60.36 8.5465 2 0 0 10.46 100.00 8.4542 1 1 0 18.04 16.48 4.9164 3 1 0 18.24 7.44 4.8636 0 2 0 18.97 10.27 4.6770 0 0 2 21.66 8.76 4.1028 2 0 2 21.72 47.31 4.0925 1 1 2 26.30 35.11 3.3886 3 1 2 26.44 22.05 3.3712 0 2 2 28.29 15.55 3.1547 4 0 2 28.46 44.56 3.1360 2 2 2 29.29 29.96 3.0491 5 1 1 29.42 24.74 3.0364 4 2 1 29.62 29.31 3.0155 1 3 1 33.76 11.12 2.6551 5 1 2 33.87 11.13 2.6467 4 2 2 34.05 5.75 2.6329 1 3 2 36.55 3.50 2.4582 6 2 0 36.95 1.03 2.4330 6 0 2 36.96 2.85 2.4318 0 4 0 37.25 1.11 2.4138 3 3 2 38.50 11.10 2.3385 0 0 4 39.24 1.04 2.2959 7 1 1 39.50 1.03 2.2815 5 3 1 40.23 1.20 2.2417 5 1 3 41.50 4.80 2.1759 6 2 2 41.87 1.26 2.1576 0 4 2 42.80 2.39 2.1129 7 1 2 42.82 2.46 2.1118 3 1 4 42.91 1.23 2.1075 0 2 4 43.04 3.46 2.1017 5 3 2 43.25 5.27 2.0920 2 4 2 44.26 1.28 2.0462 2 2 4 46.42 1.38 1.9562 8 2 0 46.56 2.71 1.9506 7 3 0 46.74 2.06 1.9434 8 0 2 47.01 1.35 1.9330 1 5 0 47.19 1.97 1.9260 4 4 2 47.48 1.08 1.9148 8 2 1 48.25 3.15 1.8860 7 1 3 48.28 1.42 1.8851 1 3 4 48.47 4.92 1.8780 5 3 3 48.66 4.63 1.8710 2 4 3 48.86 1.98 1.8640 9 1 0 49.27 1.79 1.8496 6 4 0 49.51 2.02 1.8411 3 5 0 50.29 2.35 1.8145 6 4 1 50.49 2.64 1.8075 6 0 4 50.52 1.77 1.8064 3 5 1 50.73 5.30 1.7996 3 3 4 53.62 4.15 1.7093 10 0 0 54.13 15.26 1.6943 6 2 4 54.25 4.76 1.6908 5 5 0 54.43 8.97 1.6856 0 4 4 55.20 1.72 1.6640 7 1 4 55.45 1.43 1.6571 8 2 3 56.12 1.09 1.6388 9 3 0 56.79 1.10 1.6212 0 6 0 57.12 1.94 1.6126 10 2 0 57.41 1.09 1.6051 8 4 0 57.61 2.64 1.5999 9 1 3 57.89 1.23 1.5928 2 6 0 57.98 4.84 1.5908 6 4 3 58.19 2.74 1.5853 3 5 3 59.27 2.37 1.5590 0 0 6 59.80 1.48 1.5466 9 3 2 60.43 1.34 1.5318 0 6 2 60.75 1.21 1.5245 10 2 2 61.83 2.40 1.5004 8 2 4 61.95 3.23 1.4979 7 3 4 62.32 2.23 1.4899 1 5 4 62.50 2.45 1.4861 3 1 6 62.57 1.14 1.4846 0 2 6 63.61 2.17 1.4627 2 2 6 63.84 1.47 1.4580 11 1 2 64.39 4.03 1.4469 7 5 2 64.64 1.70 1.4420 4 6 2 66.34 1.75 1.4090 6 6 0 66.63 1.68 1.4036 5 1 6 66.70 2.02 1.4024 4 2 6 66.81 1.24 1.4003 1 3 6 68.91 4.99 1.3626 12 0 2 69.49 1.48 1.3526 12 2 1 69.64 1.16 1.3500 3 7 0 69.70 7.40 1.3491 6 6 2 69.95 1.95 1.3449 9 5 1 70.47 1.85 1.3362 3 7 1 71.00 3.77 1.3276 10 2 4 71.26 2.21 1.3234 8 4 4 71.68 2.55 1.3166 6 2 6 71.69 2.05 1.3164 2 6 4 71.76 1.24 1.3153 6 4 5 72.92 1.00 1.2972 2 4 6 74.19 2.60 1.2782 11 3 3 75.04 2.06 1.2658 1 7 3 75.49 1.05 1.2594 8 0 6 75.83 1.15 1.2546 4 4 6 77.29 2.03 1.2345 5 1 7 77.35 1.60 1.2337 4 2 7 77.45 1.90 1.2323 1 3 7 79.93 2.69 1.2002 10 4 4 80.62 1.13 1.1917 1 7 4 80.86 2.86 1.1887 12 4 2 81.57 1.71 1.1802 12 2 4 81.85 1.29 1.1768 0 8 2 82.50 3.63 1.1693 0 0 8 82.50 1.60 1.1692 3 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.