Akrochordite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100028 Moore P B, Sen Gupta P K, Schlemper E O American Mineralogist 74 (1989) 256-262 Akrochordite, (Mn,Mg)5(OH)4(H2O)4(AsO4)2: A sheet structure with amphibole walls AMCSD#0001205 CELL PARAMETERS: 5.6750 17.5970 6.8140 90.000 99.490 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00000 0.00000 0.00000 1.000 1.387 Mn 0.47580 0.06180 0.79670 1.000 1.198 Mn -0.05660 0.13150 0.64700 1.000 1.141 As 0.36830 0.11850 0.31880 1.000 0.753 O 0.35120 0.04700 0.14830 1.000 1.104 O 0.57910 0.09650 0.51490 1.000 1.235 O 0.10330 0.13350 0.38840 1.000 1.515 O 0.43800 0.19730 0.20370 1.000 1.147 OH 0.12520 0.02350 0.72720 1.000 0.974 OH 0.81440 0.10360 0.91750 1.000 0.930 Wa 0.29640 0.17340 0.82320 1.000 1.098 Wa 0.85880 0.24830 0.15660 1.000 1.406 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 16 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 12.45894582 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.05 100.00 8.7985 0 2 0 15.83 7.12 5.5973 1 0 0 16.60 4.14 5.3409 0 2 1 16.62 20.01 5.3340 1 1 0 18.79 4.93 4.7227 1 2 0 19.55 30.09 4.5398 -1 1 1 20.09 68.80 4.4192 0 3 1 20.19 60.99 4.3993 0 4 0 21.44 19.95 4.1448 -1 2 1 21.95 22.49 4.0495 1 3 0 22.86 10.27 3.8909 1 1 1 24.18 9.31 3.6808 0 4 1 24.50 30.14 3.6336 1 2 1 25.76 8.18 3.4588 1 4 0 26.53 34.51 3.3604 0 0 2 27.03 33.07 3.2989 1 3 1 27.78 12.04 3.2114 -1 4 1 28.63 32.84 3.1178 0 5 1 29.10 52.21 3.0690 -1 1 2 29.99 2.95 2.9794 1 5 0 30.24 4.78 2.9554 1 4 1 30.43 23.59 2.9379 -1 2 2 30.48 1.04 2.9328 0 6 0 30.66 17.93 2.9158 0 3 2 31.77 14.41 2.8169 -1 5 1 31.98 16.15 2.7987 2 0 0 32.39 43.43 2.7639 2 1 0 32.53 40.14 2.7523 -1 3 2 32.97 2.74 2.7165 -2 1 1 33.28 38.47 2.6918 1 0 2 33.33 8.85 2.6880 0 6 1 33.56 5.88 2.6704 0 4 2 33.60 10.83 2.6670 2 2 0 33.68 1.53 2.6609 1 1 2 33.97 19.18 2.6393 1 5 1 34.17 6.81 2.6243 -2 2 1 34.53 18.31 2.5978 1 6 0 35.29 8.81 2.5432 -1 4 2 35.54 8.97 2.5259 2 3 0 36.08 7.15 2.4896 -2 3 1 36.10 6.56 2.4880 -1 6 1 36.99 1.50 2.4304 0 5 2 37.13 2.83 2.4213 2 1 1 38.08 30.27 2.3631 1 6 1 38.21 3.70 2.3553 2 2 1 38.22 3.93 2.3545 0 7 1 38.59 2.28 2.3333 -1 5 2 38.62 6.16 2.3316 -2 4 1 38.66 2.33 2.3288 -2 1 2 39.24 5.53 2.2961 1 4 2 39.29 3.19 2.2932 1 7 0 39.71 1.47 2.2699 -2 2 2 39.96 7.88 2.2564 2 3 1 40.60 3.74 2.2223 0 1 3 40.71 3.05 2.2166 -1 7 1 40.84 1.37 2.2096 0 6 2 41.03 8.74 2.1996 0 8 0 41.18 23.89 2.1921 -1 1 3 41.21 1.47 2.1905 2 5 0 41.40 2.84 2.1810 -2 3 2 41.69 5.40 2.1667 -2 5 1 42.17 1.58 2.1428 -1 2 3 42.30 10.51 2.1368 2 4 1 43.23 3.21 2.0928 0 3 3 43.28 3.61 2.0905 0 8 1 43.79 1.01 2.0675 -1 3 3 44.24 20.70 2.0472 1 8 0 45.16 1.41 2.0077 2 5 1 45.20 3.22 2.0059 -2 6 1 45.43 1.65 1.9963 0 4 3 45.78 13.37 1.9822 2 1 2 45.97 3.81 1.9743 -1 4 3 46.36 3.99 1.9585 1 1 3 46.41 3.55 1.9567 -1 7 2 46.47 2.76 1.9540 -2 5 2 47.93 2.66 1.8981 -2 1 3 48.15 3.50 1.8899 0 5 3 48.18 2.72 1.8886 2 3 2 48.48 1.58 1.8778 2 6 1 48.49 2.03 1.8774 0 9 1 48.69 4.98 1.8702 2 7 0 48.73 1.05 1.8688 -3 1 1 48.81 7.44 1.8658 -2 2 3 49.60 1.70 1.8380 -3 2 1 49.62 1.67 1.8373 1 7 2 49.72 1.53 1.8336 -2 6 2 50.22 4.24 1.8168 2 4 2 50.25 2.53 1.8155 -2 3 3 50.56 15.34 1.8052 -1 9 1 50.80 5.86 1.7971 -1 8 2 51.03 1.82 1.7898 -3 3 1 51.32 3.86 1.7803 0 6 3 51.39 1.24 1.7780 3 3 0 51.81 1.65 1.7646 -1 6 3 51.99 2.26 1.7589 -3 0 2 52.23 1.97 1.7514 -2 4 3 52.75 7.33 1.7355 2 5 2 52.98 4.29 1.7283 -3 4 1 53.10 1.31 1.7248 -3 2 2 53.33 1.95 1.7177 3 1 1 53.34 3.40 1.7177 3 4 0 53.82 1.52 1.7033 1 8 2 53.86 3.36 1.7023 0 10 1 54.15 4.23 1.6937 3 2 1 54.28 1.52 1.6900 0 9 2 54.46 4.99 1.6848 -3 3 2 54.63 4.99 1.6800 -1 1 4 54.90 16.65 1.6725 0 7 3 55.48 1.73 1.6563 -1 9 2 55.50 12.56 1.6557 3 3 1 55.70 2.10 1.6504 0 2 4 55.73 2.32 1.6495 2 6 2 55.78 4.45 1.6479 -1 10 1 56.24 3.34 1.6358 1 6 3 56.33 19.13 1.6332 -3 4 2 56.76 4.59 1.6219 -1 3 4 57.02 4.10 1.6152 0 3 4 57.22 12.17 1.6100 1 10 1 57.35 6.13 1.6067 3 4 1 57.39 1.86 1.6057 -2 8 2 57.50 1.18 1.6028 2 9 0 57.61 7.19 1.6001 -2 6 3 57.76 2.29 1.5963 2 2 3 57.87 2.23 1.5934 -2 9 1 58.33 1.88 1.5820 1 9 2 58.64 2.89 1.5742 3 6 0 58.68 1.24 1.5734 -3 5 2 58.83 3.35 1.5696 0 4 4 59.12 2.77 1.5626 2 7 2 59.23 7.05 1.5601 -3 1 3 59.28 1.68 1.5589 0 10 2 59.39 1.89 1.5562 0 11 1 59.56 1.62 1.5523 -2 1 4 59.67 5.56 1.5496 3 5 1 60.04 4.30 1.5408 1 0 4 60.16 1.01 1.5381 1 11 0 60.30 2.40 1.5349 1 1 4 60.61 2.60 1.5278 3 0 2 60.65 2.03 1.5269 2 9 1 60.93 8.46 1.5204 -2 7 3 61.05 1.09 1.5177 1 2 4 61.61 1.20 1.5053 3 2 2 61.61 2.81 1.5053 -3 7 1 62.30 5.43 1.4903 1 3 4 62.56 5.26 1.4848 1 11 1 62.68 1.43 1.4821 -2 10 1 62.89 1.19 1.4777 2 8 2 63.07 1.07 1.4740 2 5 3 63.11 10.72 1.4731 0 9 3 63.31 5.47 1.4689 -2 4 4 63.43 1.23 1.4664 0 12 0 64.03 7.66 1.4542 1 4 4 65.11 1.71 1.4327 0 12 1 65.20 1.56 1.4310 -3 5 3 65.51 1.94 1.4249 -2 5 4 65.61 3.77 1.4229 3 8 0 65.75 7.71 1.4202 2 6 3 66.14 4.19 1.4128 -4 1 1 66.37 4.38 1.4084 -2 10 2 66.76 1.40 1.4012 -1 7 4 66.86 5.70 1.3993 -4 2 1 68.13 2.24 1.3764 1 12 1 68.28 5.77 1.3737 -3 8 2 68.72 2.58 1.3660 -2 9 3 68.83 1.11 1.3640 1 6 4 69.89 1.01 1.3459 2 0 4 70.00 1.85 1.3440 0 12 2 70.07 2.07 1.3429 -1 2 5 70.64 1.44 1.3335 4 4 0 70.82 1.08 1.3304 2 2 4 71.09 1.24 1.3261 3 1 3 71.80 1.07 1.3148 -4 5 1 71.93 2.08 1.3126 1 10 3 71.96 1.54 1.3122 -4 4 2 71.96 2.12 1.3121 4 2 1 71.98 1.01 1.3118 2 3 4 73.10 1.51 1.2945 -2 1 5 73.14 1.34 1.2939 -2 10 3 73.14 1.25 1.2939 3 9 1 73.14 1.23 1.2939 -2 12 1 73.94 1.32 1.2818 1 13 1 74.03 2.42 1.2805 -4 5 2 74.33 1.21 1.2762 -4 6 1 75.65 1.14 1.2571 2 5 4 75.75 1.55 1.2557 0 5 5 77.40 2.25 1.2329 -1 6 5 78.21 1.09 1.2223 4 0 2 78.81 2.30 1.2144 -2 13 1 79.33 1.94 1.2078 -4 5 3 79.95 1.12 1.1999 -3 7 4 80.50 2.50 1.1931 2 10 3 81.19 1.70 1.1847 -3 1 5 81.53 1.92 1.1807 4 8 0 81.78 1.07 1.1777 4 4 2 81.88 1.18 1.1765 1 12 3 82.97 1.06 1.1638 -3 3 5 83.29 1.41 1.1601 -3 8 4 84.50 1.43 1.1466 2 14 0 84.81 1.50 1.1431 -2 14 1 86.33 2.22 1.1269 1 7 5 86.39 2.21 1.1263 -3 12 2 86.50 1.80 1.1251 -3 5 5 86.98 1.69 1.1201 0 0 6 87.07 1.43 1.1192 3 4 4 87.55 2.29 1.1143 -4 5 4 88.21 1.34 1.1077 0 9 5 88.52 1.46 1.1047 -2 0 6 89.01 1.94 1.0998 0 16 0 89.03 1.07 1.0996 3 9 3 89.20 1.20 1.0979 -1 15 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.