Microcline Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040154 Allan D R, Angel R J European Journal of Mineralogy 9 (1997) 263-275 A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 0.0 GPa CELL PARAMETERS: 8.5714 12.9645 7.2203 90.740 115.944 87.663 SPACE GROUP: C-1 ATOM X Y Z OCCUPANCY ISO(B) K 0.28410 -0.00710 0.13670 0.986 1.970 Na 0.28410 -0.00710 0.13670 0.014 1.970 Al 0.01020 0.18810 0.21800 0.944 1.300 Si 0.01020 0.18810 0.21800 0.056 1.300 Al 0.00880 0.81820 0.23150 0.068 1.300 Si 0.00880 0.81820 0.23150 0.932 1.300 Al 0.71050 0.12060 0.34050 0.009 1.300 Si 0.71050 0.12060 0.34050 0.991 1.300 Al 0.70690 0.88640 0.34970 0.009 1.340 Si 0.70690 0.88640 0.34970 0.991 1.340 Oa 0.00170 0.14060 -0.01570 1.000 1.730 Oa 0.63960 0.00500 0.28590 1.000 1.510 Ob 0.82110 0.14990 0.22050 1.000 1.960 Ob 0.83240 0.85580 0.23800 1.000 2.080 Oc 0.03470 0.32140 0.25300 1.000 1.780 Oc 0.03840 0.69120 0.26840 1.000 1.650 Od 0.18840 0.12530 0.40450 1.000 1.590 Od 0.17680 0.87000 0.41020 1.000 1.670 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 11 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 4.464962969 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.14 6.60 6.7366 1 1 0 13.64 4.85 6.4926 0 0 1 13.67 6.47 6.4768 0 2 0 14.93 8.81 5.9344 -1 -1 1 15.27 4.08 5.8025 -1 1 1 19.30 4.85 4.5980 0 2 1 21.06 80.70 4.2193 -2 0 1 22.34 19.52 3.9803 1 1 1 22.66 9.30 3.9239 1 -1 1 23.10 7.63 3.8509 2 0 0 23.22 47.47 3.8307 1 3 0 24.02 45.28 3.7051 -1 3 0 24.34 15.59 3.6572 -1 -3 1 24.73 12.83 3.6005 -2 -2 1 24.98 6.91 3.5650 -1 3 1 25.54 40.09 3.4879 -1 -1 2 25.65 2.28 3.4735 -2 2 1 25.70 32.63 3.4659 -1 1 2 26.46 67.10 3.3683 2 2 0 27.10 74.09 3.2906 -2 0 2 27.40 56.81 3.2546 -2 2 0 27.48 100.00 3.2463 0 0 2 27.54 41.14 3.2384 0 4 0 29.49 31.63 3.0293 1 3 1 30.12 6.96 2.9672 -2 -2 2 30.24 40.35 2.9559 1 -3 1 30.74 8.02 2.9085 0 2 2 30.79 19.19 2.9043 0 4 1 30.82 3.54 2.9012 -2 2 2 30.88 5.81 2.8958 0 -2 2 30.93 12.73 2.8916 0 -4 1 32.13 11.34 2.7860 -1 -3 2 32.42 1.43 2.7613 -3 1 1 32.53 16.00 2.7527 -1 3 2 34.21 10.94 2.6213 -3 -1 2 34.24 21.54 2.6191 -2 -4 1 34.33 1.14 2.6118 2 2 1 34.71 13.36 2.5845 -3 1 2 34.94 8.97 2.5679 1 1 2 35.15 2.79 2.5534 2 -2 1 35.19 4.05 2.5504 1 -1 2 35.38 5.76 2.5372 3 1 0 35.52 1.46 2.5276 2 4 0 35.60 27.29 2.5216 -2 4 1 35.93 6.98 2.4997 -3 1 0 36.93 7.64 2.4338 -1 -5 1 36.96 2.16 2.4321 -2 4 0 37.06 9.26 2.4257 -3 -3 1 37.67 2.68 2.3881 -1 5 1 38.54 4.55 2.3359 -3 3 1 38.56 3.72 2.3347 -1 -1 3 38.65 4.29 2.3298 -1 1 3 39.17 2.03 2.3000 -3 -3 2 40.50 1.56 2.2274 -3 3 2 40.60 2.65 2.2222 1 5 1 41.54 3.31 2.1737 1 -5 1 41.84 29.82 2.1589 0 6 0 41.86 10.30 2.1581 2 4 1 42.75 4.11 2.1153 -4 0 1 42.87 6.30 2.1097 -4 0 2 43.23 3.93 2.0930 2 -4 1 43.54 1.38 2.0788 3 1 1 43.62 2.88 2.0748 2 0 2 44.02 1.86 2.0568 3 -1 1 44.13 2.04 2.0520 0 6 1 44.29 3.22 2.0453 0 -6 1 44.65 6.04 2.0295 -4 -2 2 45.58 8.21 1.9901 2 2 2 45.75 10.85 1.9831 -4 2 2 45.87 2.82 1.9781 -3 -3 3 46.27 6.32 1.9619 2 -2 2 46.38 2.72 1.9579 -3 -5 1 46.98 1.10 1.9342 -3 3 3 47.20 13.66 1.9254 4 0 0 47.54 7.52 1.9128 -4 0 3 48.09 1.68 1.8921 -2 6 1 48.43 1.17 1.8796 -3 5 1 48.82 1.17 1.8656 4 2 0 48.84 4.85 1.8646 1 1 3 48.97 2.22 1.8602 3 5 0 48.97 1.01 1.8601 3 -3 1 49.06 3.76 1.8570 1 -1 3 49.10 1.45 1.8553 1 5 2 49.18 1.84 1.8525 -2 6 0 49.21 1.18 1.8516 -4 -2 3 49.87 1.88 1.8286 -2 -6 2 49.94 1.21 1.8262 -4 2 0 50.04 1.09 1.8229 1 -5 2 50.56 3.64 1.8053 -4 -4 1 50.58 26.69 1.8046 -2 0 4 50.60 4.88 1.8039 0 4 3 50.65 5.24 1.8022 0 6 2 50.71 1.89 1.8003 -4 -4 2 50.87 6.79 1.7948 0 -4 3 50.93 6.93 1.7931 0 -6 2 51.05 1.47 1.7889 -3 5 0 51.25 3.98 1.7825 -2 6 2 51.74 2.42 1.7668 2 4 2 52.65 3.21 1.7385 -4 4 1 52.70 1.04 1.7368 -4 4 2 52.76 1.44 1.7351 -1 -1 4 53.00 1.77 1.7278 2 -4 2 53.43 1.36 1.7150 1 -3 3 53.74 1.04 1.7056 -5 -1 2 54.02 3.24 1.6976 -3 -5 3 54.36 1.26 1.6878 -5 1 2 55.48 3.97 1.6563 3 5 1 55.53 2.60 1.6549 -1 -7 2 55.65 4.16 1.6516 -3 5 3 56.13 1.53 1.6386 -1 7 2 56.86 2.46 1.6192 0 8 0 56.92 1.12 1.6178 -5 1 3 57.40 3.97 1.6053 -4 -2 4 57.50 3.67 1.6027 3 -5 1 58.24 3.35 1.5842 -4 2 4 58.55 3.39 1.5765 0 2 4 58.72 3.82 1.5724 0 -2 4 58.86 1.04 1.5691 0 -8 1 59.45 1.32 1.5548 2 -2 3 59.60 4.74 1.5511 -5 -3 3 59.95 4.68 1.5430 -4 -6 1 60.42 1.16 1.5322 1 5 3 60.76 1.62 1.5243 0 -6 3 61.23 13.02 1.5139 2 8 0 61.26 3.64 1.5131 -5 3 3 62.57 1.25 1.4846 -5 -1 4 62.75 4.20 1.4808 -4 6 1 63.09 3.00 1.4736 -5 1 4 63.15 9.96 1.4722 -2 8 0 63.30 1.15 1.4691 -2 -8 2 63.31 2.16 1.4691 5 3 0 63.47 1.17 1.4657 4 6 0 63.60 1.85 1.4631 -1 -7 3 63.89 3.39 1.4570 1 1 4 63.92 2.00 1.4564 -4 -6 3 63.97 1.07 1.4553 -5 -5 2 64.01 1.85 1.4545 -1 7 3 64.07 5.59 1.4534 2 4 3 64.09 1.40 1.4530 1 -1 4 64.13 1.71 1.4521 0 8 2 65.08 1.99 1.4332 -5 3 0 65.25 4.16 1.4299 2 -4 3 65.46 7.96 1.4258 -6 0 2 66.41 7.66 1.4078 4 0 2 66.56 1.59 1.4049 -1 9 0 66.71 1.57 1.4021 -5 5 2 67.03 2.79 1.3963 -4 0 5 67.20 2.19 1.3930 -2 -6 4 68.13 1.48 1.3764 -2 6 4 68.18 1.26 1.3755 -1 1 5 68.42 2.17 1.3712 -4 -2 5 68.96 1.29 1.3618 -5 5 3 69.04 1.93 1.3603 -6 -2 1 70.09 2.55 1.3426 -1 -9 2 70.37 1.04 1.3379 -6 2 1 70.77 3.30 1.3313 -1 9 2 70.95 2.75 1.3284 -6 0 4 71.49 1.32 1.3197 5 3 1 71.60 3.61 1.3179 -1 -3 5 71.65 2.31 1.3170 -1 3 5 71.71 1.18 1.3162 -2 -4 5 71.97 1.19 1.3121 -4 -8 1 72.13 4.28 1.3095 -4 -8 2 72.23 1.06 1.3079 -2 4 5 72.37 1.78 1.3058 -5 1 5 72.40 2.95 1.3053 2 0 4 73.05 1.38 1.2954 0 10 0 73.19 1.01 1.2931 0 -8 3 73.22 1.11 1.2927 5 -3 1 73.27 5.14 1.2920 2 8 2 73.53 1.90 1.2880 -6 -4 1 73.73 2.10 1.2850 -3 -9 2 73.82 2.41 1.2836 6 0 0 73.89 1.32 1.2826 -5 -7 2 74.62 1.03 1.2718 0 -2 5 74.62 1.99 1.2718 -4 4 5 74.82 1.93 1.2689 -5 -3 5 74.95 2.09 1.2670 -3 -5 5 75.34 6.00 1.2615 2 -8 2 75.39 6.88 1.2608 -4 8 2 76.11 1.55 1.2507 -6 4 1 76.15 1.22 1.2501 -3 5 5 76.20 1.16 1.2494 -5 3 5 79.35 1.17 1.2075 0 4 5 79.88 1.05 1.2008 0 -10 2 80.43 1.57 1.1941 -2 10 2 81.06 1.66 1.1863 -7 -3 3 82.39 2.34 1.1705 -4 -8 4 84.24 2.41 1.1495 0 8 4 84.81 1.82 1.1432 0 -8 4 85.26 1.75 1.1383 -4 8 4 85.44 2.22 1.1363 4 4 3 87.36 1.86 1.1162 4 -4 3 89.86 1.39 1.0916 1 5 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.