Ferroaxinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050061 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: 7.1468 9.1910 8.9520 91.830 98.140 77.310 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 0.629 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 0.545 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 0.540 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: 6.828122542 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.04 21.65 6.3056 0 -1 1 14.06 5.76 6.3002 0 1 1 14.39 1.62 6.1564 1 1 0 15.14 1.51 5.8527 -1 0 1 17.34 2.40 5.1154 1 0 1 17.84 3.28 4.9732 -1 1 0 18.54 2.43 4.7863 1 1 1 19.59 6.07 4.5325 -1 1 1 22.23 1.04 3.9991 0 2 1 22.37 2.76 3.9737 0 -1 2 22.39 1.24 3.9710 0 1 2 24.20 10.64 3.6770 1 2 1 25.57 2.29 3.4839 -1 1 2 25.80 62.78 3.4527 2 0 0 25.94 17.17 3.4346 -1 2 0 26.13 4.66 3.4107 -2 -1 1 26.38 2.39 3.3788 -2 0 1 27.20 15.34 3.2785 -1 2 1 28.33 70.79 3.1501 0 2 2 29.02 11.83 3.0767 2 0 1 29.68 23.35 3.0101 -2 1 0 29.88 19.91 2.9902 1 3 0 29.89 10.04 2.9888 0 3 0 30.19 15.86 2.9604 -2 1 1 30.54 4.04 2.9271 1 2 2 30.55 1.52 2.9264 -2 0 2 30.98 38.27 2.8868 -1 -3 1 31.25 5.96 2.8625 -1 0 3 31.60 8.89 2.8314 0 3 1 31.89 2.15 2.8063 0 -1 3 31.91 1.72 2.8049 0 1 3 31.94 9.33 2.8023 2 2 1 31.94 100.00 2.8018 -1 -1 3 32.17 17.35 2.7826 1 3 1 32.54 6.28 2.7513 2 -1 1 33.33 1.38 2.6886 -2 -2 2 33.72 6.38 2.6578 -1 1 3 33.94 5.43 2.6416 -2 1 2 34.10 6.02 2.6294 1 -2 2 34.64 1.20 2.5897 1 0 3 34.90 11.02 2.5709 2 1 2 35.08 16.05 2.5577 2 0 2 35.18 9.67 2.5509 2 3 0 35.64 3.25 2.5188 -1 -2 3 36.24 2.77 2.4788 0 -3 2 36.27 1.36 2.4768 0 3 2 36.44 2.24 2.4657 0 2 3 36.90 16.13 2.4361 1 -1 3 37.04 1.38 2.4272 -2 -1 3 37.20 18.52 2.4171 1 -3 1 37.28 3.56 2.4117 1 3 2 37.58 2.93 2.3932 2 2 2 38.10 1.25 2.3617 -3 -1 1 38.19 8.63 2.3564 3 1 0 38.89 1.12 2.3159 -2 -3 2 39.05 1.03 2.3067 -3 0 1 39.47 2.16 2.2829 1 4 0 39.78 2.26 2.2662 -2 2 2 39.92 3.35 2.2586 -1 3 2 40.23 4.15 2.2416 0 4 0 40.73 2.43 2.2155 0 0 4 40.75 1.28 2.2144 -3 -1 2 41.00 3.37 2.2012 3 1 1 41.03 2.58 2.1997 -1 0 4 41.30 22.30 2.1863 1 4 1 41.56 6.87 2.1727 0 4 1 41.89 24.87 2.1567 3 0 1 42.00 6.46 2.1512 0 -1 4 42.54 4.69 2.1249 -3 1 1 42.66 2.54 2.1193 3 2 1 44.05 10.76 2.0559 -3 -3 1 44.13 2.85 2.0521 3 3 0 44.55 3.76 2.0339 -2 3 1 44.59 5.65 2.0320 -1 -2 4 44.65 2.39 2.0296 1 0 4 44.98 2.54 2.0155 -3 1 2 45.09 2.23 2.0107 2 2 3 45.16 3.52 2.0077 -1 4 0 45.18 3.66 2.0070 1 1 4 45.20 5.83 2.0061 3 -1 1 45.20 1.08 2.0059 2 4 1 45.33 5.78 2.0006 -2 -1 4 45.36 4.60 1.9995 0 4 2 45.49 11.86 1.9939 -2 0 4 45.66 1.57 1.9869 0 -2 4 45.69 3.32 1.9855 0 2 4 45.73 12.62 1.9840 -3 -1 3 46.12 1.18 1.9682 3 1 2 46.41 1.73 1.9566 -3 -3 2 46.55 5.40 1.9509 -3 0 3 46.65 3.13 1.9470 3 3 1 47.32 6.98 1.9210 -2 3 2 48.33 2.17 1.8834 1 -3 3 49.97 2.47 1.8251 3 -1 2 50.65 4.46 1.8023 1 -4 2 51.13 3.11 1.7864 0 -4 3 51.19 10.14 1.7846 -2 -4 3 51.36 2.04 1.7791 0 3 4 51.80 1.42 1.7648 -2 -3 4 52.20 2.21 1.7522 -2 3 3 52.42 1.45 1.7455 -2 -5 1 52.56 1.68 1.7413 3 4 1 52.97 2.39 1.7286 -4 -1 2 53.11 4.85 1.7243 -1 1 5 53.30 1.34 1.7188 -1 -5 2 53.35 7.25 1.7173 -2 4 0 53.89 4.43 1.7012 2 2 4 53.97 1.78 1.6989 2 5 1 54.28 3.85 1.6900 2 -1 4 54.85 1.27 1.6737 1 5 2 54.88 2.80 1.6730 -2 -5 2 55.10 3.46 1.6669 4 2 1 55.28 9.32 1.6618 0 5 2 55.37 1.58 1.6593 4 3 0 55.72 3.57 1.6498 1 1 5 55.82 6.95 1.6470 2 4 3 56.38 1.28 1.6319 1 -3 4 56.43 14.95 1.6307 -4 1 0 56.52 3.48 1.6282 -3 -4 3 56.53 2.03 1.6278 3 -1 3 56.85 9.47 1.6196 1 -1 5 57.51 2.66 1.6024 -4 -2 3 57.57 3.13 1.6011 3 -3 1 57.88 9.41 1.5931 -2 -4 4 57.91 1.84 1.5925 3 5 0 58.19 1.63 1.5855 1 2 5 58.47 1.24 1.5784 2 -2 4 58.55 11.82 1.5764 0 -4 4 58.61 3.72 1.5751 0 4 4 58.92 2.50 1.5676 4 1 2 59.09 2.14 1.5633 -1 5 2 60.00 1.34 1.5417 3 5 1 60.36 3.47 1.5335 0 -5 3 60.36 2.10 1.5335 1 5 3 60.41 3.11 1.5323 0 5 3 60.73 1.94 1.5251 0 -3 5 61.18 4.95 1.5150 3 -2 3 61.26 1.28 1.5130 -4 -4 2 61.36 2.14 1.5108 -3 3 3 61.47 1.02 1.5086 -3 0 5 61.62 2.31 1.5050 -4 2 0 62.08 1.67 1.4951 2 6 0 62.29 4.04 1.4905 -1 3 5 62.31 3.76 1.4902 4 3 2 62.36 1.42 1.4891 -2 -6 1 62.93 2.04 1.4770 0 0 6 62.97 3.30 1.4762 3 4 3 63.08 1.14 1.4738 0 -6 1 63.44 2.78 1.4664 -2 5 0 63.59 1.83 1.4632 -4 0 4 63.69 1.39 1.4611 -1 5 3 63.75 1.81 1.4598 2 6 1 63.88 2.55 1.4571 0 1 6 63.96 2.86 1.4555 -3 4 0 63.98 1.60 1.4552 4 -2 1 64.00 2.48 1.4547 3 5 2 64.04 4.48 1.4540 -3 1 5 64.75 3.18 1.4398 -4 -4 3 65.05 1.07 1.4338 -2 -1 6 65.18 1.73 1.4312 -2 0 6 65.61 2.88 1.4229 -5 -2 1 65.66 4.45 1.4221 -4 -3 4 65.93 3.55 1.4167 3 -4 1 65.95 1.67 1.4164 0 -6 2 66.51 1.44 1.4058 4 5 0 66.59 1.50 1.4043 -2 4 4 66.65 2.15 1.4032 0 -2 6 66.76 6.49 1.4012 4 4 2 66.78 4.35 1.4009 -2 -2 6 66.87 2.27 1.3991 -1 6 0 67.28 1.17 1.3916 -1 2 6 67.97 1.26 1.3791 1 -1 6 68.44 1.29 1.3709 4 3 3 68.52 1.34 1.3695 1 4 5 68.76 2.13 1.3652 -5 -3 2 68.95 1.49 1.3620 5 2 1 69.27 1.21 1.3564 -3 -5 4 69.33 6.25 1.3554 -1 4 5 69.50 2.74 1.3524 -4 3 2 69.95 2.31 1.3448 -2 5 3 69.96 1.55 1.3447 -1 6 2 70.29 1.82 1.3392 -2 -3 6 70.91 1.15 1.3290 3 1 5 71.19 1.23 1.3245 1 -2 6 71.27 11.08 1.3231 -5 0 3 71.53 2.38 1.3191 3 0 5 71.80 1.34 1.3147 2 -4 4 72.09 2.56 1.3102 3 2 5 72.17 1.02 1.3089 -3 -6 3 72.66 1.03 1.3012 2 4 5 72.70 1.41 1.3006 4 4 3 73.17 1.35 1.2935 1 3 6 73.64 3.30 1.2863 -3 5 1 73.79 1.89 1.2841 2 -5 3 74.17 1.19 1.2785 -1 -6 4 74.62 1.02 1.2719 5 4 1 75.02 1.09 1.2661 3 3 5 76.06 2.05 1.2513 1 -6 3 76.83 2.23 1.2406 -5 -5 1 77.53 2.69 1.2313 5 5 0 78.02 2.09 1.2248 2 3 6 78.24 1.48 1.2218 -4 -1 6 79.09 1.16 1.2108 1 1 7 79.09 1.14 1.2108 -2 -7 3 80.64 1.58 1.1914 2 -5 4 80.76 1.10 1.1899 -5 -5 3 82.23 1.01 1.1724 -1 -5 6 83.35 1.58 1.1594 -2 4 6 83.78 1.75 1.1546 2 -3 6 84.89 1.23 1.1423 -1 -7 4 85.70 1.07 1.1336 1 8 1 85.74 1.64 1.1331 -4 4 4 87.84 1.76 1.1114 -6 1 0 88.09 1.13 1.1089 2 -7 1 88.13 1.37 1.1085 0 7 4 88.98 1.59 1.1000 5 -2 3 89.00 1.33 1.0999 -2 0 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.