Cordierite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040081 Wallace J H, Wenk H R American Mineralogist 65 (1980) 96-111 Structure variation in low cordierites sci 1542 mono CELL PARAMETERS: 17.0777 9.7300 9.3470 90.000 90.000 90.000 SPACE GROUP: Cccm ATOM X Y Z OCCUPANCY ISO(B) Mg 0.33742 0.00000 0.25000 0.900 0.537 Fe 0.33742 0.00000 0.25000 0.068 0.537 Al 0.25000 0.25000 0.25006 0.962 0.413 Si 0.00000 0.50000 0.25000 0.876 0.343 Al 0.00000 0.50000 0.25000 0.097 0.343 Si 0.19252 0.07803 0.00000 0.963 0.326 Si 0.13516 -0.23731 0.00000 0.970 0.326 Al 0.05083 0.30791 0.00000 0.911 0.344 Si 0.05083 0.30791 0.00000 0.048 0.344 O 0.24722 -0.10301 0.35881 1.000 0.704 O 0.06220 -0.41620 0.34910 1.000 0.717 O -0.17326 -0.31006 0.35854 1.000 0.725 O 0.04321 -0.24815 0.00000 1.000 1.008 O 0.12231 0.18464 0.00000 1.000 1.010 O 0.16468 -0.07957 0.00000 1.000 1.028 OH 0.00000 0.00000 0.25000 0.740 24.395 OH 0.00000 0.00000 0.00000 0.120 59.672 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: 8.092451409 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.36 61.08 8.5388 2 0 0 10.46 100.00 8.4541 1 1 0 18.05 17.06 4.9134 3 1 0 18.24 7.62 4.8650 0 2 0 18.99 11.17 4.6735 0 0 2 20.81 1.84 4.2694 4 0 0 21.68 7.66 4.0996 2 0 2 21.73 50.48 4.0901 1 1 2 26.32 51.69 3.3863 3 1 2 26.45 32.80 3.3703 0 2 2 27.80 1.44 3.2090 4 2 0 28.31 23.19 3.1521 4 0 2 28.47 64.51 3.1350 2 2 2 29.31 39.17 3.0467 5 1 1 29.43 32.30 3.0351 4 2 1 29.62 38.49 3.0159 1 3 1 31.43 1.18 2.8463 6 0 0 33.78 12.31 2.6531 5 1 2 33.89 11.92 2.6454 4 2 2 34.05 5.63 2.6327 1 3 2 36.58 4.35 2.4567 6 2 0 36.95 3.58 2.4325 0 4 0 36.98 1.09 2.4309 6 0 2 37.26 1.15 2.4133 3 3 2 38.53 13.97 2.3368 0 0 4 39.27 1.64 2.2940 7 1 1 39.51 1.58 2.2808 5 3 1 40.26 1.86 2.2400 5 1 3 40.35 1.43 2.2354 4 2 3 40.49 1.34 2.2277 1 3 3 41.53 6.50 2.1746 6 2 2 41.87 1.71 2.1577 0 4 2 42.83 2.54 2.1112 7 1 2 42.85 3.23 2.1103 3 1 4 42.94 1.59 2.1064 0 2 4 43.06 3.91 2.1009 5 3 2 43.25 6.06 2.0920 2 4 2 44.29 1.67 2.0451 2 2 4 46.45 1.69 1.9548 8 2 0 46.58 3.38 1.9497 7 3 0 46.78 2.82 1.9417 8 0 2 47.00 1.60 1.9335 1 5 0 47.20 2.81 1.9258 4 4 2 47.52 1.39 1.9134 8 2 1 48.30 4.03 1.8845 7 1 3 48.30 1.85 1.8843 1 3 4 48.50 6.38 1.8771 5 3 3 48.67 6.05 1.8708 2 4 3 48.90 2.56 1.8624 9 1 0 49.28 2.39 1.8492 6 4 0 49.50 2.66 1.8414 3 5 0 50.30 2.96 1.8140 6 4 1 50.52 2.26 1.8067 3 5 1 50.54 3.47 1.8061 6 0 4 50.75 6.89 1.7988 3 3 4 53.27 1.13 1.7195 6 4 2 53.67 5.38 1.7078 10 0 0 54.17 19.49 1.6932 6 2 4 54.25 6.25 1.6908 5 5 0 54.45 11.52 1.6852 0 4 4 55.25 2.21 1.6627 7 1 4 55.49 1.88 1.6559 8 2 3 55.97 1.12 1.6429 1 5 3 56.16 1.47 1.6378 9 3 0 56.77 1.47 1.6217 0 6 0 57.16 2.51 1.6114 10 2 0 57.43 1.36 1.6045 8 4 0 57.66 3.47 1.5986 9 1 3 57.88 1.55 1.5932 2 6 0 58.00 6.32 1.5902 6 4 3 58.20 3.60 1.5852 3 5 3 58.92 1.03 1.5675 4 4 4 59.32 3.13 1.5578 0 0 6 59.84 1.92 1.5456 9 3 2 60.42 1.78 1.5321 0 6 2 60.80 1.49 1.5234 10 2 2 61.88 3.09 1.4993 8 2 4 61.99 4.17 1.4970 7 3 4 62.02 1.01 1.4964 4 6 1 62.33 2.81 1.4897 1 5 4 62.55 3.18 1.4850 3 1 6 62.61 1.52 1.4836 0 2 6 63.66 2.87 1.4617 2 2 6 63.90 1.81 1.4567 11 1 2 64.41 5.09 1.4466 7 5 2 64.63 2.02 1.4420 4 6 2 66.34 2.21 1.4090 6 6 0 66.69 2.09 1.4026 5 1 6 66.75 2.49 1.4014 4 2 6 66.85 1.49 1.3995 1 3 6 68.50 1.05 1.3698 5 5 4 68.72 1.20 1.3659 12 2 0 68.98 6.42 1.3614 12 0 2 69.15 1.06 1.3586 9 5 0 69.56 1.90 1.3515 12 2 1 69.63 1.44 1.3503 3 7 0 69.70 9.52 1.3490 6 6 2 69.98 2.51 1.3444 9 5 1 70.46 2.44 1.3365 3 7 1 71.06 4.91 1.3266 10 2 4 71.30 2.86 1.3227 8 4 4 71.51 1.09 1.3194 9 1 5 71.70 2.63 1.3163 2 6 4 71.74 3.28 1.3156 6 2 6 71.80 1.59 1.3147 6 4 5 71.98 1.15 1.3119 0 4 6 72.03 1.14 1.3111 12 2 2 72.67 1.22 1.3012 7 1 6 72.82 1.18 1.2988 5 3 6 72.92 1.14 1.2973 3 7 2 72.96 1.24 1.2967 2 4 6 74.25 3.38 1.2773 11 3 3 74.39 1.07 1.2753 10 4 3 75.03 2.71 1.2659 1 7 3 75.56 1.37 1.2584 8 0 6 75.87 1.55 1.2540 4 4 6 76.49 1.14 1.2453 9 5 3 77.36 2.63 1.2336 5 1 7 77.41 2.07 1.2328 4 2 7 77.51 2.49 1.2315 1 3 7 79.99 3.48 1.1995 10 4 4 80.62 1.50 1.1917 1 7 4 80.92 3.65 1.1880 12 4 2 81.65 2.18 1.1792 12 2 4 81.83 1.63 1.1770 0 8 2 82.05 1.22 1.1745 9 5 4 82.51 2.00 1.1692 3 7 4 82.57 4.66 1.1684 0 0 8 84.46 1.14 1.1470 14 2 2 86.15 1.04 1.1288 9 3 6 86.66 1.21 1.1234 0 6 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.