Anorthoclase Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070510 Harlow G E American Mineralogist 67 (1982) 975-996 The anorthoclase structures: The effects of temperature and composition Kakanui, Or = 13.8, T = 23 deg C feldspar CELL PARAMETERS: 8.1710 12.8720 7.0920 93.550 116.170 89.970 SPACE GROUP: C-1 ATOM X Y Z OCCUPANCY ISO(B) Al 0.00870 0.16860 0.21680 0.250 1.136 Si 0.00870 0.16860 0.21680 0.750 1.136 Al 0.00540 0.81530 0.22750 0.250 1.064 Si 0.00540 0.81530 0.22750 0.750 1.064 Al 0.69230 0.10990 0.32560 0.250 1.083 Si 0.69230 0.10990 0.32560 0.750 1.083 Al 0.68860 0.87890 0.35140 0.250 1.101 Si 0.68860 0.87890 0.35140 0.750 1.101 Na 0.27430 0.00510 0.13500 0.850 1.500 K 0.27430 0.00510 0.13500 0.150 1.500 O 0.00450 0.13690 0.98810 1.000 2.095 O 0.59690 0.99250 0.28180 1.000 1.729 O 0.82200 0.11450 0.20510 1.000 2.198 O 0.82030 0.84990 0.24220 1.000 2.373 O 0.01880 0.29400 0.27240 1.000 1.948 O 0.02250 0.68820 0.22670 1.000 1.852 O 0.19320 0.11460 0.39110 1.000 1.895 O 0.18820 0.86850 0.42320 1.000 2.061 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 11 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 4.859676063 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.73 8.69 6.4496 -1 1 0 13.79 10.39 6.4208 0 2 0 13.95 5.58 6.3499 0 0 1 14.09 1.45 6.2856 1 1 0 15.20 5.32 5.8282 -1 -1 1 15.74 6.09 5.6307 -1 1 1 18.97 2.31 4.6786 0 -2 1 22.00 97.53 4.0398 -2 0 1 22.87 21.14 3.8884 1 -1 1 23.67 28.24 3.7587 1 1 1 23.76 47.37 3.7455 -1 3 0 24.39 35.00 3.6492 1 3 0 24.52 11.20 3.6309 -1 -3 1 25.69 15.70 3.4675 -1 -1 2 25.93 3.63 3.4360 -2 -2 1 26.54 20.31 3.3588 -1 1 2 27.66 46.15 3.2248 -2 2 0 27.79 57.71 3.2104 0 4 0 27.89 82.20 3.1992 -2 0 2 28.11 100.00 3.1750 0 0 2 28.40 39.89 3.1428 2 2 0 29.63 22.91 3.0150 1 -3 1 30.32 24.05 2.9478 0 -4 1 30.54 13.46 2.9271 0 -2 2 30.68 8.82 2.9141 -2 -2 2 31.50 24.00 2.8405 1 3 1 31.78 1.71 2.8154 -2 2 2 31.79 9.67 2.8148 -1 -3 2 32.09 1.41 2.7889 0 4 1 32.30 1.07 2.7714 0 2 2 33.85 10.84 2.6479 -1 3 2 35.40 2.16 2.5354 2 -2 1 35.53 26.49 2.5267 -2 -4 1 35.62 5.49 2.5207 -3 -1 2 35.67 4.36 2.5170 1 -1 2 35.92 16.90 2.5003 -2 4 1 35.96 2.50 2.4975 -3 1 2 36.66 2.52 2.4515 -2 4 0 36.77 2.63 2.4442 2 2 1 37.15 5.09 2.4198 -1 -5 1 37.25 3.91 2.4136 -3 1 0 37.68 3.49 2.3872 3 1 0 37.80 4.72 2.3799 2 4 0 38.32 4.20 2.3487 -1 5 1 38.89 1.05 2.3156 -1 -1 3 39.19 5.28 2.2986 -3 3 1 39.33 7.47 2.2906 -3 -3 1 39.84 2.81 2.2626 -1 1 3 40.59 3.87 2.2228 1 -5 1 40.66 1.44 2.2187 -2 4 2 41.35 1.20 2.1837 0 4 2 41.95 1.64 2.1538 -2 2 3 42.22 14.98 2.1403 0 6 0 42.64 11.37 2.1204 2 -4 1 42.96 5.47 2.1054 1 5 1 43.30 1.72 2.0895 -3 1 3 44.87 3.43 2.0199 -4 0 2 44.97 1.37 2.0159 2 4 1 45.02 2.73 2.0136 -4 0 1 45.31 1.20 2.0016 2 0 2 45.51 1.20 1.9931 3 -1 1 45.65 5.46 1.9872 0 6 1 46.19 1.13 1.9653 3 1 1 46.72 4.52 1.9442 2 -2 2 46.76 1.17 1.9427 -3 -3 3 47.01 4.31 1.9328 -4 -2 2 47.32 7.91 1.9209 -4 2 2 48.44 6.45 1.8793 2 2 2 48.62 3.95 1.8727 -2 6 0 48.68 1.15 1.8704 -3 5 1 49.34 11.13 1.8469 -4 0 3 49.71 4.01 1.8341 0 -6 2 49.76 10.84 1.8325 4 0 0 49.88 3.15 1.8284 1 -1 3 49.95 4.43 1.8257 0 -4 3 49.99 3.31 1.8246 2 6 0 50.26 2.86 1.8155 -2 -6 2 50.88 7.08 1.7945 1 1 3 50.95 2.18 1.7923 -1 7 0 51.45 1.11 1.7762 -4 2 0 51.66 23.79 1.7695 -2 0 4 52.33 2.05 1.7484 4 2 0 52.41 3.67 1.7460 2 -4 2 52.45 2.05 1.7444 -2 6 2 53.23 2.92 1.7207 0 6 2 53.32 4.47 1.7180 -4 -4 2 53.45 3.05 1.7144 -4 4 1 53.46 2.30 1.7138 0 4 3 53.89 3.24 1.7014 -4 4 2 54.02 2.70 1.6974 -4 -4 1 54.65 1.34 1.6794 -2 2 4 54.74 2.89 1.6768 -3 -5 3 54.92 1.62 1.6717 -1 -7 2 55.53 3.83 1.6548 2 4 2 56.47 1.15 1.6296 -3 -3 4 56.98 2.27 1.6161 3 -5 1 57.33 3.32 1.6071 -3 5 3 57.41 2.78 1.6052 0 8 0 58.34 1.13 1.5817 -5 1 1 58.89 2.76 1.5681 -4 -2 4 58.97 3.39 1.5664 0 -2 4 59.86 3.24 1.5452 3 5 1 60.20 1.30 1.5373 2 -2 3 60.22 2.31 1.5367 -4 2 4 60.33 1.51 1.5342 1 -7 2 61.09 1.47 1.5170 0 2 4 61.38 1.59 1.5105 -2 4 4 61.51 1.01 1.5075 2 -6 2 61.98 2.49 1.4973 -2 -8 1 62.36 1.28 1.4890 -1 -7 3 62.47 8.35 1.4868 -2 8 0 62.49 5.22 1.4864 -5 -3 3 63.03 5.05 1.4747 -4 6 1 63.07 1.63 1.4739 0 -8 2 63.35 2.54 1.4682 -5 3 3 63.69 1.53 1.4612 -4 6 2 63.82 1.73 1.4585 -4 -6 1 63.95 3.88 1.4558 0 6 3 64.02 6.70 1.4545 2 8 0 64.81 4.87 1.4385 2 -4 3 64.93 1.34 1.4361 -5 -1 4 65.32 1.58 1.4285 1 -1 4 65.47 1.79 1.4256 -5 1 4 65.75 2.07 1.4203 2 6 2 66.13 1.22 1.4130 -4 6 0 66.42 2.03 1.4075 1 1 4 66.43 1.76 1.4074 -2 -6 4 66.99 1.53 1.3969 4 4 1 67.22 3.07 1.3928 1 9 0 67.83 3.26 1.3817 1 -3 4 68.01 1.62 1.3785 -5 -3 4 68.03 2.10 1.3781 -4 6 3 68.24 1.00 1.3744 5 3 0 68.38 2.15 1.3719 4 6 0 68.48 1.07 1.3701 1 -9 1 68.57 2.63 1.3686 2 4 3 68.87 3.88 1.3633 -4 0 5 69.12 6.29 1.3591 -6 0 2 69.44 1.01 1.3535 -5 -5 3 69.48 5.57 1.3528 -1 -9 2 69.66 6.34 1.3498 4 0 2 69.67 1.14 1.3497 2 8 1 69.78 2.20 1.3477 -4 -2 5 70.29 1.92 1.3392 -1 1 5 70.81 1.53 1.3307 -5 5 3 71.54 3.37 1.3189 -1 -3 5 73.02 1.98 1.2957 -1 9 2 73.37 3.82 1.2904 2 -8 2 73.79 1.49 1.2842 0 10 0 74.12 1.30 1.2792 -6 0 4 74.15 1.36 1.2787 -4 -4 5 74.87 1.52 1.2683 -1 3 5 74.97 1.76 1.2668 2 0 4 75.21 5.48 1.2633 -4 -8 2 75.27 1.01 1.2625 0 -2 5 75.31 1.22 1.2620 -4 8 1 75.92 1.67 1.2533 -6 4 2 76.15 3.93 1.2502 -4 8 2 76.40 1.57 1.2466 -6 -4 3 76.82 2.10 1.2408 -5 -3 5 76.98 1.07 1.2387 0 8 3 77.46 1.71 1.2322 -4 4 5 78.21 1.32 1.2222 -6 4 1 78.22 1.15 1.2221 4 4 2 78.25 3.11 1.2217 6 0 0 78.59 4.93 1.2173 2 8 2 79.01 1.05 1.2118 -5 3 5 79.16 1.39 1.2099 -2 -10 2 79.43 2.14 1.2065 -3 5 5 80.46 1.10 1.1936 6 2 0 82.46 2.14 1.1696 0 -8 4 82.87 1.23 1.1650 1 -7 4 83.04 1.13 1.1630 -3 9 3 83.45 1.26 1.1583 -4 -8 4 83.63 1.84 1.1562 3 5 3 83.89 1.74 1.1533 -6 4 0 84.08 1.41 1.1512 -5 -7 4 84.86 1.64 1.1427 -2 6 5 85.98 1.63 1.1306 6 4 0 86.10 1.26 1.1293 -3 -9 4 88.04 1.14 1.1094 -4 8 4 89.90 1.15 1.0912 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.