{\rtf1\ansi\deff0{\fonttbl{\f0\fnil\fcharset0 Courier New;}} {\*\generator Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\lang1033\f0\fs20 Henritermierite\par Diffraction data computed using the structure from the paper listed below,\\\\par\\par\par along with the cell parameters refined from the powder pattern of R060253\par Armbruster T, Kohler T, Libowitzky E, Friedrich A, Miletich R,\par Kunz M, Medenbach O, Gutzmer J\par American Mineralogist 86 (2001) 147-158\par Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal\par Mn3+ hydrogarnet, henritermierite\par Sample: T = 293 K\par \par CELL PARAMETERS: 12.4890 12.4890 11.9090 90.000 90.000 90.000\par ALTERNATE SETTING FOR SPACE GROUP: I4_1/acd \par \par ATOM X Y Z OCCUPANCY ISO(B)\par Mn 0.00000 0.00000 0.00000 0.967 0.427\par Al 0.00000 0.00000 0.00000 0.033 0.427\par Ca 0.36180 0.00000 0.25000 1.000 0.558\par Ca 0.00000 0.25000 0.12500 1.000 0.673\par Si 0.11599 0.00000 0.25000 1.000 0.390\par O 0.29485 0.71842 0.09651 1.000 0.579\par O 0.15990 0.55480 0.05381 1.000 0.605\par O 0.44271 0.36023 0.02146 0.947 0.650\par Si 0.50000 0.25000 0.12500 0.047 0.600\par H 0.43300 0.35400 0.08000 0.950 4.600\par O 0.45600 0.34600 0.03600 0.044 0.790\par \par X-RAY WAVELENGTH: 1.541838\par BOUNDS ON TWO THETA: 5.0 90.0\par LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 10\par MAX. ABS. INTENSITY / VOLUME**2: 10.83512219 \par The INTENSITY cut off value is 1.00\par \par 2-THETA INTENSITY D-SPACING H K L\par 14.18 19.29 6.2445 2 0 0\par 17.97 18.99 4.9371 1 1 2\par 20.11 41.83 4.4155 2 2 0\par 20.61 29.82 4.3093 2 0 2\par 27.09 22.32 3.2912 3 1 2\par 28.59 60.56 3.1223 4 0 0\par 30.01 59.97 2.9773 0 0 4\par 30.45 2.39 2.9356 4 1 1\par 32.05 31.91 2.7926 4 2 0\par 32.38 83.26 2.7652 4 0 2\par 33.34 36.52 2.6874 2 0 4\par 33.97 2.81 2.6388 3 3 2\par 34.36 10.92 2.6099 3 2 3\par 35.51 100.00 2.5284 4 2 2\par 36.40 24.19 2.4685 2 2 4\par 36.76 16.87 2.4446 4 3 1\par 37.34 3.72 2.4081 4 1 3\par 37.84 7.43 2.3774 3 1 4\par 39.59 11.37 2.2764 5 2 1\par 39.80 21.48 2.2652 5 1 2\par 41.20 9.88 2.1909 2 1 5\par 44.79 14.37 2.0233 6 1 1\par 44.98 17.32 2.0154 5 3 2\par 45.29 11.07 2.0025 5 2 3\par 45.96 20.69 1.9747 6 2 0\par 46.20 1.94 1.9649 6 0 2\par 46.26 1.97 1.9626 3 2 5\par 46.92 9.78 1.9365 1 1 6\par 47.22 1.21 1.9248 5 4 1\par 48.10 10.42 1.8916 2 0 6\par 48.63 2.35 1.8723 4 1 5\par 51.53 6.82 1.7734 4 4 4\par 52.26 4.51 1.7506 5 4 3\par 52.86 15.01 1.7319 6 4 0\par 53.73 12.88 1.7059 6 0 4\par 54.17 2.15 1.6933 5 5 2\par 54.81 21.82 1.6750 4 0 6\par 55.24 52.68 1.6630 6 4 2\par 55.29 1.18 1.6616 5 2 5\par 55.87 2.15 1.6457 3 3 6\par 55.87 39.67 1.6456 6 2 4\par 56.92 50.38 1.6178 4 2 6\par 59.18 13.97 1.5611 8 0 0\par 59.99 2.45 1.5421 5 1 6\par 60.25 2.59 1.5361 7 4 1\par 61.99 1.43 1.4970 6 4 4\par 62.38 8.56 1.4886 0 0 8\par 63.37 6.09 1.4678 8 2 2\par 63.41 1.01 1.4668 6 3 5\par 64.19 1.15 1.4508 8 3 1\par 66.26 2.40 1.4106 2 2 8\par 66.50 1.12 1.4061 4 3 7\par 67.02 10.43 1.3963 8 4 0\par 67.78 13.71 1.3826 8 0 4\par 68.39 1.88 1.3717 8 3 3\par 69.09 9.88 1.3594 8 4 2\par 69.65 4.17 1.3499 8 2 4\par 69.89 1.03 1.3459 7 6 1\par 70.02 7.81 1.3437 4 0 8\par 70.03 1.79 1.3436 9 1 2\par 71.50 1.50 1.3195 5 5 6\par 71.51 6.74 1.3194 6 6 4\par 71.87 4.38 1.3136 4 2 8\par 72.42 16.59 1.3050 6 4 6\par 72.42 1.12 1.3049 7 5 4\par 72.83 3.28 1.2986 8 1 5\par 75.15 4.06 1.2642 8 4 4\par 76.46 3.01 1.2458 8 3 5\par 78.20 1.04 1.2224 5 3 8\par 78.95 2.01 1.2126 4 1 9\par 79.32 1.35 1.2079 9 4 3\par 80.86 1.33 1.1887 6 2 8\par 82.28 1.23 1.1718 7 5 6\par 83.34 2.23 1.1596 10 4 0\par 84.04 3.21 1.1517 10 0 4\par 84.04 2.83 1.1517 8 6 4\par 84.92 3.39 1.1420 8 4 6\par 85.27 16.34 1.1382 10 4 2\par 85.79 6.94 1.1326 10 2 4\par 86.14 5.14 1.1289 6 4 8\par 86.36 1.89 1.1266 8 7 3\par 87.71 3.84 1.1127 4 0 10\par 88.59 4.56 1.1039 8 8 0\par 89.29 1.74 1.0971 9 3 6\par 89.46 8.28 1.0955 4 2 10\par ================================================================================\par XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs\par For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.\par \par }