Ferroaxinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040074 Swinnea J S, Steinfink H, Rendon-DiazMiron L E, Enciso de la Vega S American Mineralogist 66 (1981) 428-431 The crystal structure of a Mexican axinite CELL PARAMETERS: 7.1484 9.1820 8.9640 91.920 98.210 77.344 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.74651 0.34816 0.39493 1.000 0.519 Ca 0.18294 0.10044 0.08371 1.000 0.630 Fe 0.76770 0.59145 0.11264 0.550 0.596 Mn 0.76770 0.59145 0.11264 0.130 0.596 Mg 0.76770 0.59145 0.11264 0.185 0.596 Ti 0.76770 0.59145 0.11264 0.005 0.596 K 0.76770 0.59145 0.11264 0.022 0.596 Na 0.76770 0.59145 0.11264 0.065 0.596 Al 0.05263 0.80053 0.25405 1.000 0.292 Al 0.35181 0.93599 0.42106 0.893 0.275 Fe 0.35181 0.93599 0.42106 0.107 0.275 B 0.46150 0.63440 0.28700 1.000 0.407 H 0.98950 0.96040 0.62990 1.000 2.370 Si 0.21049 0.44986 0.23373 1.000 0.354 Si 0.21891 0.27461 0.52317 1.000 0.313 Si 0.69874 0.25668 0.01148 1.000 0.417 Si 0.64154 0.01907 0.23042 1.000 0.328 O 0.05330 0.60310 0.19000 1.000 0.546 O 0.23170 0.33880 0.09490 1.000 0.713 O 0.41880 0.48690 0.31190 1.000 0.533 O 0.13560 0.37160 0.36920 1.000 0.739 O 0.02130 0.24250 0.56390 1.000 0.525 O 0.32650 0.38030 0.64480 1.000 0.541 O 0.38100 0.12750 0.49580 1.000 0.444 O 0.53470 0.34370 0.87690 1.000 0.543 O 0.87620 0.15540 0.93370 1.000 0.513 O 0.76830 0.36800 0.13860 1.000 0.681 O 0.60380 0.13480 0.08740 1.000 0.707 O 0.43600 0.98130 0.24420 1.000 0.506 O 0.72110 0.09950 0.38470 1.000 0.483 O 0.79370 0.87400 0.17750 1.000 0.543 O 0.32510 0.74610 0.35460 1.000 0.423 O 0.09680 0.99550 0.32230 1.000 0.491 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 8 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 6.970917148 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.03 21.23 6.3112 0 -1 1 14.06 5.63 6.2968 0 1 1 14.40 1.58 6.1525 1 1 0 15.12 1.48 5.8589 -1 0 1 17.33 2.35 5.1165 1 0 1 17.83 3.21 4.9738 -1 1 0 18.55 2.37 4.7829 1 1 1 19.58 5.94 4.5337 -1 1 1 22.25 1.01 3.9950 0 2 1 22.34 2.71 3.9790 0 -1 2 22.38 1.21 3.9718 0 1 2 24.24 10.37 3.6724 1 2 1 25.55 2.24 3.4860 -1 1 2 25.80 61.47 3.4535 2 0 0 25.95 16.79 3.4340 -1 2 0 26.11 4.57 3.4124 -2 -1 1 26.36 2.34 3.3810 -2 0 1 27.21 15.00 3.2776 -1 2 1 28.35 69.16 3.1484 0 2 2 29.02 11.58 3.0771 2 0 1 29.67 22.87 3.0109 -2 1 0 29.91 19.41 2.9869 1 3 0 29.92 9.79 2.9863 0 3 0 30.18 15.54 2.9617 -2 1 1 30.52 1.49 2.9295 -2 0 2 30.57 3.94 2.9247 1 2 2 30.99 37.41 2.8857 -1 -3 1 31.20 5.85 2.8665 -1 0 3 31.63 8.67 2.8283 0 3 1 31.84 2.11 2.8102 0 -1 3 31.89 1.68 2.8064 0 1 3 31.89 98.32 2.8063 -1 -1 3 31.96 9.10 2.7999 2 2 1 32.21 16.90 2.7789 1 3 1 32.53 6.15 2.7522 2 -1 1 33.30 1.36 2.6907 -2 -2 2 33.69 6.26 2.6600 -1 1 3 33.91 5.33 2.6435 -2 1 2 34.08 5.90 2.6311 1 -2 2 34.61 1.17 2.5915 1 0 3 34.91 10.78 2.5703 2 1 2 35.08 15.71 2.5583 2 0 2 35.21 9.43 2.5485 2 3 0 35.59 3.20 2.5223 -1 -2 3 36.22 2.71 2.4799 0 -3 2 36.30 1.32 2.4746 0 3 2 36.44 2.19 2.4654 0 2 3 36.86 15.83 2.4384 1 -1 3 36.98 1.35 2.4306 -2 -1 3 37.20 18.12 2.4171 1 -3 1 37.33 3.47 2.4090 1 3 2 37.61 2.86 2.3915 2 2 2 38.09 1.22 2.3626 -3 -1 1 38.19 8.44 2.3564 3 1 0 38.87 1.10 2.3168 -2 -3 2 39.03 1.01 2.3079 -3 0 1 39.52 2.10 2.2804 1 4 0 39.76 2.21 2.2669 -2 2 2 39.93 3.27 2.2576 -1 3 2 40.27 4.04 2.2397 0 4 0 40.68 2.39 2.2180 0 0 4 40.71 1.26 2.2162 -3 -1 2 40.97 2.54 2.2028 -1 0 4 41.01 3.30 2.2008 3 1 1 41.35 21.71 2.1834 1 4 1 41.61 6.70 2.1704 0 4 1 41.88 24.35 2.1569 3 0 1 41.94 6.35 2.1542 0 -1 4 42.52 4.60 2.1259 -3 1 1 42.69 2.48 2.1181 3 2 1 44.06 10.52 2.0555 -3 -3 1 44.16 2.78 2.0508 3 3 0 44.52 5.56 2.0350 -1 -2 4 44.55 3.67 2.0336 -2 3 1 44.61 2.35 2.0313 1 0 4 44.95 2.49 2.0168 -3 1 2 45.11 2.18 2.0098 2 2 3 45.16 3.59 2.0078 1 1 4 45.18 3.44 2.0068 -1 4 0 45.19 5.71 2.0066 3 -1 1 45.25 5.69 2.0038 -2 -1 4 45.27 1.05 2.0033 2 4 1 45.40 4.49 1.9975 0 4 2 45.43 11.66 1.9966 -2 0 4 45.60 1.54 1.9895 0 -2 4 45.67 12.40 1.9863 -3 -1 3 45.68 3.25 1.9859 0 2 4 46.13 1.15 1.9679 3 1 2 46.39 1.69 1.9573 -3 -3 2 46.50 5.30 1.9530 -3 0 3 46.69 3.05 1.9454 3 3 1 47.32 6.83 1.9209 -2 3 2 48.29 2.13 1.8847 1 -3 3 49.95 2.42 1.8257 3 -1 2 50.64 4.37 1.8026 1 -4 2 51.10 3.05 1.7874 0 -4 3 51.15 9.95 1.7857 -2 -4 3 51.37 1.99 1.7787 0 3 4 51.73 1.40 1.7670 -2 -3 4 52.20 2.16 1.7524 -2 3 3 52.46 1.41 1.7444 -2 -5 1 52.62 1.64 1.7394 3 4 1 52.94 2.35 1.7297 -4 -1 2 53.06 4.76 1.7261 -1 1 5 53.31 1.31 1.7185 -1 -5 2 53.36 7.09 1.7170 -2 4 0 53.90 4.33 1.7009 2 2 4 54.05 1.73 1.6967 2 5 1 54.24 3.78 1.6912 2 -1 4 54.89 2.74 1.6727 -2 -5 2 54.93 1.24 1.6716 1 5 2 55.12 3.38 1.6663 4 2 1 55.34 9.08 1.6600 0 5 2 55.39 1.54 1.6587 4 3 0 55.68 3.50 1.6507 1 1 5 55.88 6.77 1.6453 2 4 3 56.32 1.26 1.6334 1 -3 4 56.41 14.64 1.6312 -4 1 0 56.49 3.41 1.6291 -3 -4 3 56.51 1.99 1.6285 3 -1 3 56.78 9.30 1.6213 1 -1 5 57.46 2.61 1.6038 -4 -2 3 57.55 3.07 1.6014 3 -3 1 57.82 9.24 1.5947 -2 -4 4 57.97 1.79 1.5909 3 5 0 58.17 1.59 1.5858 1 2 5 58.42 1.21 1.5796 2 -2 4 58.50 11.60 1.5778 0 -4 4 58.64 3.63 1.5742 0 4 4 58.92 2.45 1.5674 4 1 2 59.14 2.09 1.5622 -1 5 2 60.08 1.30 1.5399 3 5 1 60.34 3.40 1.5340 0 -5 3 60.44 2.05 1.5317 1 5 3 60.47 3.03 1.5309 0 5 3 60.64 1.90 1.5270 0 -3 5 61.14 4.85 1.5157 3 -2 3 61.26 1.26 1.5131 -4 -4 2 61.34 2.09 1.5112 -3 3 3 61.61 2.27 1.5055 -4 2 0 62.16 1.62 1.4935 2 6 0 62.27 3.96 1.4909 -1 3 5 62.35 3.67 1.4892 4 3 2 62.41 1.38 1.4880 -2 -6 1 62.85 2.00 1.4787 0 0 6 63.03 3.22 1.4747 3 4 3 63.12 1.11 1.4730 0 -6 1 63.46 2.72 1.4659 -2 5 0 63.51 1.80 1.4647 -4 0 4 63.74 1.35 1.4601 -1 5 3 63.82 2.50 1.4584 0 1 6 63.85 1.76 1.4579 2 6 1 63.96 1.57 1.4556 4 -2 1 63.96 4.41 1.4556 -3 1 5 63.96 2.80 1.4555 -3 4 0 64.09 2.42 1.4530 3 5 2 64.71 3.12 1.4405 -4 -4 3 64.94 1.06 1.4361 -2 -1 6 65.08 1.70 1.4333 -2 0 6 65.58 4.37 1.4235 -4 -3 4 65.60 2.82 1.4231 -5 -2 1 65.92 3.48 1.4169 3 -4 1 65.97 1.64 1.4161 0 -6 2 66.55 2.12 1.4051 0 -2 6 66.57 1.41 1.4047 4 5 0 66.60 1.47 1.4042 -2 4 4 66.66 4.29 1.4031 -2 -2 6 66.83 6.32 1.4000 4 4 2 66.92 2.21 1.3982 -1 6 0 67.23 1.15 1.3926 -1 2 6 67.89 1.24 1.3806 1 -1 6 68.48 1.26 1.3701 4 3 3 68.56 1.31 1.3688 1 4 5 68.74 2.08 1.3656 -5 -3 2 68.96 1.46 1.3617 5 2 1 69.22 1.19 1.3573 -3 -5 4 69.34 6.11 1.3553 -1 4 5 69.48 2.68 1.3528 -4 3 2 69.98 2.25 1.3443 -2 5 3 70.03 1.51 1.3436 -1 6 2 70.17 1.79 1.3413 -2 -3 6 70.90 1.12 1.3292 3 1 5 71.09 1.21 1.3261 1 -2 6 71.21 10.88 1.3241 -5 0 3 71.49 2.33 1.3196 3 0 5 71.75 1.31 1.3155 2 -4 4 72.10 2.50 1.3101 3 2 5 72.71 1.00 1.3005 2 4 5 72.77 1.37 1.2996 4 4 3 73.17 1.32 1.2935 1 3 6 73.66 3.23 1.2861 -3 5 1 73.76 1.85 1.2846 2 -5 3 74.13 1.17 1.2791 -1 -6 4 75.05 1.06 1.2657 3 3 5 76.04 2.01 1.2516 1 -6 3 76.87 2.17 1.2402 -5 -5 1 77.59 2.62 1.2305 5 5 0 78.03 2.04 1.2247 2 3 6 78.11 1.46 1.2235 -4 -1 6 79.02 1.14 1.2117 1 1 7 79.10 1.12 1.2107 -2 -7 3 80.59 1.54 1.1921 2 -5 4 80.74 1.08 1.1902 -5 -5 3 83.33 1.55 1.1597 -2 4 6 83.68 1.71 1.1557 2 -3 6 84.86 1.21 1.1426 -1 -7 4 85.71 1.61 1.1334 -4 4 4 85.82 1.05 1.1323 1 8 1 87.80 1.72 1.1118 -6 1 0 88.12 1.10 1.1085 2 -7 1 88.23 1.34 1.1074 0 7 4 88.85 1.31 1.1014 -2 0 8 88.95 1.55 1.1004 5 -2 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.