Akatoreite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060230 Burns P C, Hawthorne F C The Canadian Mineralogist 31 (1993) 321-329 Edge-sharing MnO4 tetrahedra in the structure of akatoreite, Mn9Al2Si8O24(OH)8 CELL PARAMETERS: 8.3200 10.3460 7.6140 104.520 93.760 104.130 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00000 0.50000 0.50000 1.000 0.687 Mn 0.60854 0.42848 0.36083 1.000 0.671 Mn 0.83621 0.29882 0.08032 1.000 0.624 Mn 0.56978 0.77338 0.05242 1.000 0.608 Mn 0.83542 0.94289 0.37937 1.000 0.805 Al 0.22100 0.36860 0.23320 1.000 0.426 Si 0.11550 0.35800 -0.18610 1.000 0.426 Si -0.43170 0.10190 -0.70560 1.000 0.450 Si -0.25590 0.29870 -0.32110 1.000 0.442 Si 0.19100 0.04800 0.19880 1.000 0.474 O 0.16710 0.49910 -0.25260 1.000 0.624 O 0.09530 0.38450 0.02940 1.000 0.640 O -0.23300 0.44290 -0.38050 1.000 0.592 O -0.33700 0.30470 -0.13580 1.000 0.726 O 0.24330 0.26430 -0.24400 1.000 0.734 O -0.39560 0.22120 -0.81200 1.000 0.742 O -0.34490 -0.01980 -0.77370 1.000 0.853 O -0.36820 0.17410 -0.48940 1.000 0.932 O -0.07160 0.27010 -0.30020 1.000 0.726 O 0.07500 0.05730 0.36110 1.000 0.726 O 0.36780 0.03480 0.27670 1.000 0.908 O 0.21380 0.18000 0.11610 1.000 0.616 Oh 0.01680 0.31250 0.32420 1.000 0.576 Oh 0.36260 0.36800 0.44650 1.000 0.632 Oh 0.10940 -0.09570 0.03480 1.000 0.869 Oh 0.42470 0.42650 0.14480 1.000 0.679 H 0.03500 0.23500 0.36600 1.000 1.184 H 0.33000 0.29100 0.50100 1.000 1.184 H -0.01200 -0.12000 0.00400 1.000 1.184 H 0.42400 0.51300 0.11800 1.000 1.184 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 8 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 7.925208908 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.17 21.11 9.6443 0 1 0 11.07 1.43 7.9944 1 0 0 12.33 1.88 7.1794 -1 1 0 13.03 8.72 6.7927 0 -1 1 15.29 4.84 5.7958 -1 0 1 16.57 4.50 5.3491 1 -1 1 17.67 11.49 5.0194 -1 -1 1 18.75 28.89 4.7321 -1 2 0 19.06 81.32 4.6575 0 -2 1 22.24 4.11 3.9972 2 0 0 24.28 1.91 3.6654 -1 2 1 24.38 6.58 3.6516 0 0 2 24.65 5.74 3.6115 -2 1 1 24.77 35.98 3.5943 0 2 1 25.11 5.56 3.5462 2 -1 1 25.74 36.84 3.4610 -1 -1 2 26.34 3.31 3.3838 2 1 0 26.59 35.68 3.3520 -2 -1 1 26.74 8.75 3.3342 2 -2 1 26.83 1.42 3.3225 2 0 1 26.94 6.23 3.3093 1 -3 1 26.96 36.95 3.3074 -1 3 0 27.05 26.40 3.2964 0 -3 1 27.75 14.04 3.2148 0 3 0 28.42 2.70 3.1404 0 1 2 28.61 5.76 3.1196 -2 2 1 29.22 42.32 3.0559 -1 -2 2 30.63 3.43 2.9190 -2 3 0 30.86 2.21 2.8979 -2 0 2 31.23 3.30 2.8643 2 -3 1 31.39 2.56 2.8495 2 1 1 31.61 14.40 2.8308 0 -3 2 31.95 1.09 2.8014 -2 -2 1 32.04 7.53 2.7932 -2 -1 2 32.15 24.05 2.7840 -1 3 1 32.35 2.83 2.7673 -3 1 0 32.47 10.79 2.7578 -2 1 2 32.69 6.54 2.7390 1 1 2 33.18 100.00 2.6998 2 -1 2 33.41 3.88 2.6823 0 3 1 33.63 3.81 2.6648 3 0 0 33.74 31.17 2.6565 -1 2 2 33.76 1.64 2.6552 -3 2 0 33.93 20.32 2.6418 -3 1 1 34.23 37.00 2.6199 -3 0 1 34.66 4.79 2.5880 0 2 2 34.79 5.00 2.5790 -2 3 1 34.95 23.03 2.5671 1 -4 1 35.38 4.49 2.5369 3 -1 1 35.46 1.44 2.5318 0 -1 3 35.47 9.77 2.5311 2 0 2 35.88 1.15 2.5025 -1 4 0 36.47 11.86 2.4635 -1 -1 3 36.47 8.38 2.4635 0 -2 3 36.54 2.56 2.4588 -2 2 2 36.92 3.54 2.4344 0 0 3 37.02 2.40 2.4281 -3 -1 1 37.12 2.35 2.4218 -1 0 3 37.29 2.16 2.4111 0 4 0 37.36 2.56 2.4073 3 1 0 37.58 5.25 2.3931 -3 3 0 38.02 6.09 2.3667 1 -1 3 38.21 4.35 2.3554 1 3 1 38.24 3.24 2.3535 -1 -2 3 38.66 3.76 2.3287 0 -4 2 40.10 3.40 2.2488 -1 1 3 40.47 29.61 2.2287 2 3 0 40.77 5.03 2.2134 -1 3 2 40.77 36.35 2.2132 -3 -1 2 40.87 43.96 2.2081 -1 4 1 41.33 1.93 2.1847 2 -4 2 41.46 1.50 2.1777 -2 -3 2 41.89 2.46 2.1565 -3 -2 1 42.17 2.05 2.1427 -1 -3 3 42.27 2.00 2.1383 0 3 2 42.44 5.00 2.1301 -3 2 2 42.61 1.37 2.1220 0 4 1 42.98 1.26 2.1044 3 2 0 43.11 4.92 2.0982 2 -2 3 43.42 11.10 2.0843 3 -4 1 43.44 5.38 2.0833 3 -3 2 43.70 1.82 2.0712 -4 1 0 44.12 3.45 2.0525 -4 2 0 44.49 1.02 2.0362 -4 1 1 44.55 9.52 2.0339 -3 -2 2 44.71 38.96 2.0269 2 -3 3 45.29 4.48 2.0022 -1 5 0 45.37 1.02 1.9989 2 -5 1 45.38 5.60 1.9986 4 0 0 45.40 1.04 1.9976 -4 0 1 46.17 3.97 1.9661 0 2 3 46.20 1.60 1.9650 4 -2 1 46.21 1.33 1.9646 2 0 3 47.14 3.56 1.9280 3 -4 2 47.40 2.34 1.9179 -2 -3 3 47.61 1.31 1.9101 3 2 1 47.84 2.66 1.9013 2 -5 2 48.29 1.29 1.8847 -4 -1 1 48.47 2.33 1.8779 -1 -1 4 48.56 1.66 1.8750 -2 -4 2 48.76 2.89 1.8674 -4 1 2 48.84 4.45 1.8647 4 0 1 48.88 2.87 1.8633 -1 4 2 48.91 2.13 1.8623 -4 0 2 49.19 3.10 1.8522 -1 -2 4 49.75 2.97 1.8327 -2 4 2 49.79 2.99 1.8314 3 -5 1 50.00 5.15 1.8242 1 -2 4 50.03 3.14 1.8232 -3 -3 2 50.15 4.44 1.8190 1 2 3 50.60 7.33 1.8039 2 1 3 51.36 4.70 1.7790 1 -3 4 51.54 1.49 1.7731 4 -2 2 51.66 4.99 1.7694 1 5 0 51.72 1.91 1.7675 0 -5 3 51.79 2.57 1.7652 -1 -3 4 52.19 2.40 1.7526 -2 0 4 52.53 1.32 1.7422 4 -1 2 52.76 4.44 1.7351 -1 1 4 52.93 1.25 1.7299 4 1 1 53.08 1.20 1.7253 0 3 3 53.88 1.24 1.7017 3 -4 3 54.11 2.15 1.6949 -4 3 2 54.87 14.53 1.6731 -3 -3 3 55.16 20.23 1.6650 -1 6 0 55.31 1.10 1.6609 1 4 2 55.40 1.82 1.6585 -4 0 3 55.96 1.31 1.6432 -3 -4 1 56.07 11.60 1.6402 -2 -5 1 56.11 1.50 1.6392 -3 3 3 56.68 3.19 1.6239 -4 5 0 56.86 2.39 1.6192 -3 -4 2 56.99 4.50 1.6159 -5 3 0 57.01 10.29 1.6155 1 1 4 57.27 10.52 1.6086 1 3 3 57.59 2.68 1.6005 2 -4 4 57.59 5.58 1.6004 5 -2 1 57.65 6.20 1.5989 5 0 0 57.84 1.07 1.5942 -1 5 2 58.05 1.67 1.5888 -2 5 2 58.17 10.32 1.5860 -4 2 3 58.17 3.47 1.5859 3 -5 3 58.44 13.94 1.5792 5 -1 1 58.52 1.65 1.5774 -3 6 0 58.97 3.00 1.5662 -3 -2 4 59.22 3.25 1.5603 3 -6 2 59.24 5.73 1.5598 -4 4 2 59.55 9.52 1.5525 0 -6 3 60.73 3.63 1.5250 -3 -4 3 60.97 2.56 1.5196 5 0 1 61.03 1.56 1.5182 5 -4 1 61.27 1.00 1.5129 5 1 0 61.65 6.43 1.5044 2 -5 4 61.87 2.77 1.4996 1 6 0 62.03 1.17 1.4962 2 4 2 62.04 8.67 1.4960 -4 3 3 62.27 1.15 1.4909 -3 4 3 62.28 1.91 1.4907 -5 -1 2 62.30 1.38 1.4904 -5 4 1 62.37 1.03 1.4889 -3 -3 4 62.57 5.79 1.4846 1 2 4 62.91 1.22 1.4773 1 -2 5 63.21 1.17 1.4711 1 -7 1 63.68 1.00 1.4613 2 3 3 63.86 1.23 1.4576 -2 -1 5 63.92 1.23 1.4565 3 -6 3 63.97 6.34 1.4554 1 -1 5 64.13 4.48 1.4521 -2 3 4 64.16 2.16 1.4516 4 0 3 64.29 6.12 1.4490 -4 0 4 64.71 5.25 1.4405 5 -4 2 64.71 3.46 1.4405 1 5 2 64.80 1.93 1.4387 3 2 3 64.83 2.61 1.4381 -3 -5 2 64.88 1.64 1.4372 -5 -2 1 65.07 1.04 1.4335 5 1 1 65.37 1.18 1.4276 0 3 4 65.52 11.40 1.4247 4 2 2 65.78 6.10 1.4197 -2 -6 1 65.96 1.07 1.4163 3 -7 1 66.42 15.79 1.4076 -1 -4 5 67.10 15.43 1.3950 3 -7 2 67.30 4.27 1.3912 -4 6 1 67.53 2.56 1.3870 -2 5 3 67.62 3.58 1.3855 -2 1 5 67.72 1.70 1.3836 -6 2 0 68.48 1.08 1.3701 -3 -1 5 68.89 1.31 1.3630 -1 -6 4 69.64 6.55 1.3501 -6 3 1 69.65 2.83 1.3499 4 -2 4 69.80 2.11 1.3475 -1 -7 1 70.62 1.31 1.3337 3 4 2 70.83 2.00 1.3303 -5 -3 1 70.95 1.19 1.3284 3 -7 3 70.99 2.10 1.3278 -6 1 2 71.00 2.41 1.3276 -6 4 0 71.00 1.01 1.3275 5 -4 3 71.08 1.43 1.3263 -1 2 5 71.14 1.68 1.3253 -1 -5 5 71.41 1.05 1.3209 -6 2 2 71.60 1.51 1.3178 4 -1 4 71.78 3.41 1.3150 -2 2 5 72.02 1.17 1.3113 5 -1 3 72.60 1.04 1.3022 -6 4 1 72.62 1.72 1.3019 0 2 5 73.54 2.62 1.2879 4 4 1 74.79 1.58 1.2694 4 2 3 74.90 1.20 1.2678 -6 5 0 75.75 5.32 1.2556 -2 -7 2 76.33 1.94 1.2475 1 -8 3 76.68 1.33 1.2427 -2 6 3 76.77 1.02 1.2415 -6 0 3 77.54 3.35 1.2311 -2 -1 6 79.09 1.38 1.2109 -2 0 6 80.22 1.17 1.1966 -6 6 0 80.55 1.02 1.1926 5 4 0 81.37 2.86 1.1825 4 -4 5 81.70 1.21 1.1786 -6 5 2 82.57 1.75 1.1684 2 -7 5 82.77 3.42 1.1661 4 5 1 82.92 3.07 1.1644 0 -8 4 84.23 1.05 1.1496 -4 3 5 84.66 1.40 1.1448 -1 -7 5 86.36 3.93 1.1266 6 -7 1 87.00 1.59 1.1199 0 4 5 87.55 1.43 1.1143 4 6 0 88.58 1.38 1.1040 -2 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.