Muscovite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040108 Liang J, Hawthorne F C, Swainson I P The Canadian Mineralogist 36 (1998) 1017-1027 Triclinic muscovite: X-ray diffraction, neutron diffraction and photo-acoustic FTIR spectroscopy Sample: room temperature CELL PARAMETERS: 5.2200 9.0580 19.9970 90.000 95.790 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Al 0.25010 0.08380 0.00010 0.980 0.600 Fe 0.25010 0.08380 0.00010 0.010 0.700 Mn 0.25010 0.08380 0.00010 0.010 0.700 Si 0.46500 0.92910 0.13560 0.770 0.500 Al 0.46500 0.92910 0.13560 0.230 0.600 Si 0.45140 0.25810 0.13560 0.770 0.500 Al 0.45140 0.25810 0.13560 0.230 0.600 K 0.00000 0.09780 0.25000 0.890 1.500 Na 0.00000 0.09780 0.25000 0.100 1.500 Rb 0.00000 0.09780 0.25000 0.010 1.500 H 0.36560 0.65600 0.05220 1.000 1.000 H 0.38830 0.63800 0.07200 1.000 1.000 O 0.41720 0.09290 0.16820 1.000 1.000 O 0.25050 0.81060 0.15770 1.000 1.000 O 0.25040 0.37020 0.16860 1.000 1.000 O 0.46090 0.94280 0.05340 1.000 1.000 O 0.38590 0.25140 0.05340 1.000 1.000 Oh 0.45660 0.56280 0.05020 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 8 +/- 18 MAX. ABS. INTENSITY / VOLUME**2: 3.873695033 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.89 100.00 9.9475 0 0 2 17.83 27.38 4.9737 0 0 4 19.60 3.82 4.5290 0 2 0 19.70 29.19 4.5054 1 1 0 19.82 71.33 4.4794 -1 1 1 20.11 8.44 4.4160 0 2 1 20.59 18.32 4.3135 1 1 1 21.56 16.74 4.1219 0 2 2 22.36 6.64 3.9754 1 1 2 22.87 45.64 3.8882 -1 1 3 23.79 45.67 3.7400 0 2 3 24.84 2.39 3.5838 1 1 3 25.49 70.74 3.4948 -1 1 4 26.62 52.82 3.3487 0 2 4 26.89 58.79 3.3158 0 0 6 27.86 75.03 3.2026 1 1 4 28.60 7.54 3.1210 -1 1 5 29.89 81.41 2.9892 0 2 5 31.27 53.21 2.8608 1 1 5 32.09 41.76 2.7896 -1 1 6 34.36 4.86 2.6102 1 3 0 34.43 37.66 2.6052 -1 3 1 34.54 18.24 2.5967 2 0 0 34.82 52.75 2.5768 -2 0 2 34.89 86.64 2.5713 1 3 1 34.97 12.05 2.5655 1 1 6 35.85 7.79 2.5048 -1 1 7 36.12 6.84 2.4869 0 0 8 36.34 25.31 2.4720 -1 3 3 36.64 13.42 2.4527 2 0 2 37.35 3.23 2.4074 0 2 7 37.42 14.67 2.4035 -2 0 4 37.67 33.55 2.3880 1 3 3 39.81 1.60 2.2645 0 4 0 39.88 11.07 2.2606 -2 2 1 40.02 3.88 2.2527 2 2 0 40.07 4.11 2.2500 0 4 1 40.35 7.18 2.2351 -1 3 5 40.70 8.17 2.2168 2 2 1 40.79 2.34 2.2121 2 0 4 40.87 5.44 2.2080 0 4 2 41.18 9.06 2.1922 -2 2 3 41.89 3.33 2.1568 2 2 2 41.97 19.78 2.1525 -2 0 6 42.17 4.67 2.1430 0 4 3 42.37 40.35 2.1335 1 3 5 43.55 6.13 2.0783 2 2 3 43.93 9.39 2.0609 0 4 4 44.45 3.07 2.0383 -2 2 5 45.60 33.40 1.9895 0 0 10 45.64 1.11 1.9877 2 2 4 46.00 21.88 1.9730 -1 3 7 46.55 10.48 1.9511 2 0 6 46.72 2.43 1.9441 -2 2 6 48.04 1.91 1.8940 -2 0 8 48.54 2.28 1.8757 1 3 7 48.69 2.74 1.8700 0 4 6 49.31 1.39 1.8479 -1 3 8 50.08 1.24 1.8215 0 2 10 51.61 1.32 1.7711 0 4 7 52.36 3.82 1.7474 -2 2 8 52.87 1.38 1.7317 -1 1 11 52.90 14.31 1.7307 -1 3 9 53.53 5.80 1.7119 2 0 8 53.58 1.14 1.7105 1 5 0 53.62 1.22 1.7091 -1 5 1 53.71 3.78 1.7067 2 4 0 53.95 1.17 1.6994 1 5 1 54.12 2.11 1.6947 2 2 7 54.36 4.25 1.6878 -3 1 3 54.63 2.72 1.6799 -2 4 3 55.21 5.50 1.6638 2 4 2 55.26 16.42 1.6623 -2 0 10 55.65 1.02 1.6517 -2 2 9 55.74 5.72 1.6491 3 1 2 55.78 4.54 1.6482 -2 4 4 55.85 34.84 1.6462 1 3 9 55.96 2.28 1.6432 1 5 3 56.29 10.90 1.6343 -1 5 4 56.57 2.10 1.6270 2 4 3 56.73 8.78 1.6228 -3 1 5 57.25 4.80 1.6092 3 1 3 57.31 7.97 1.6076 -2 4 5 57.56 3.34 1.6013 2 2 8 57.56 4.63 1.6013 1 5 4 58.50 3.23 1.5778 -3 1 6 59.14 8.38 1.5622 3 1 4 59.21 2.88 1.5605 -2 2 10 59.23 5.34 1.5601 -2 4 6 59.36 1.03 1.5569 0 2 12 59.53 2.29 1.5529 1 5 5 60.03 4.46 1.5412 -1 5 6 60.42 2.55 1.5321 2 4 5 60.81 19.09 1.5232 -1 3 11 61.24 1.87 1.5136 1 1 12 61.41 20.98 1.5097 0 6 0 61.51 8.11 1.5075 2 0 10 61.51 44.85 1.5075 -3 3 1 61.61 1.98 1.5053 0 6 1 61.85 3.24 1.5000 1 5 6 62.10 1.09 1.4946 0 4 10 62.17 1.30 1.4931 -3 3 3 62.20 1.95 1.4926 0 6 2 62.42 2.67 1.4878 3 3 1 62.87 3.71 1.4781 2 4 6 63.03 1.34 1.4747 -2 2 11 63.45 1.96 1.4661 -2 0 12 64.11 4.60 1.4526 1 3 11 64.24 3.16 1.4498 0 2 13 64.51 1.14 1.4445 1 5 7 65.23 4.89 1.4304 2 2 10 65.71 1.93 1.4211 0 0 14 65.90 1.51 1.4173 -3 1 9 66.12 1.82 1.4132 0 4 11 66.19 1.43 1.4119 1 1 13 67.02 1.18 1.3964 -2 4 9 67.33 1.82 1.3906 -1 1 14 68.00 1.68 1.3786 -3 3 7 68.26 1.31 1.3740 0 6 6 69.43 5.05 1.3537 2 2 11 69.62 24.49 1.3504 -1 3 13 70.38 8.42 1.3377 0 4 12 70.39 11.39 1.3375 2 0 12 71.32 1.39 1.3225 1 1 14 71.42 5.58 1.3208 -2 2 13 72.31 2.25 1.3067 -2 6 1 72.41 5.89 1.3051 2 6 0 72.46 3.97 1.3044 -4 0 2 72.51 1.28 1.3036 -1 1 15 72.58 12.22 1.3026 -2 6 2 72.85 6.10 1.2983 4 0 0 73.00 6.91 1.2961 -3 3 9 73.27 1.72 1.2919 1 3 13 73.37 5.51 1.2905 0 6 8 73.91 7.61 1.2823 3 3 7 74.17 6.32 1.2784 -2 6 4 74.68 3.71 1.2711 4 0 2 74.89 3.00 1.2680 0 4 13 75.80 4.83 1.2550 -1 7 1 75.91 1.33 1.2535 -4 2 2 75.93 1.16 1.2532 -3 5 2 75.97 2.85 1.2526 -4 0 6 75.99 1.96 1.2524 -2 2 14 76.30 1.14 1.2481 4 2 0 76.38 5.06 1.2470 2 6 4 76.40 1.44 1.2467 0 6 9 76.41 3.25 1.2465 -3 5 3 76.63 3.25 1.2434 0 0 16 76.94 1.77 1.2392 -1 7 3 77.57 3.44 1.2307 3 5 2 77.76 3.38 1.2282 1 7 3 77.98 4.89 1.2253 -4 2 5 78.41 1.41 1.2196 -3 5 5 78.59 3.48 1.2173 2 2 13 79.12 2.31 1.2104 1 7 4 79.27 3.06 1.2086 -3 3 11 79.37 1.16 1.2073 -4 2 6 79.51 1.28 1.2055 4 2 3 79.74 1.84 1.2026 0 6 10 79.93 2.01 1.2002 -3 5 6 80.38 2.21 1.1946 3 3 9 80.49 4.38 1.1933 3 5 4 80.81 1.54 1.1894 -2 2 15 80.83 2.14 1.1891 1 7 5 81.10 2.10 1.1859 -4 2 7 81.27 1.65 1.1837 4 2 4 81.44 2.57 1.1818 3 1 11 81.68 1.04 1.1789 -2 4 13 83.37 1.15 1.1592 4 2 5 83.39 2.90 1.1590 -1 7 7 83.39 1.09 1.1589 1 3 15 85.82 1.38 1.1323 2 6 8 86.08 3.33 1.1295 -2 4 14 86.38 1.15 1.1263 4 4 0 87.01 1.07 1.1198 -4 4 4 87.23 9.41 1.1176 -2 6 10 87.84 1.70 1.1114 -1 5 14 88.37 5.02 1.1061 4 0 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.