Anorthite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040059 Angel R J American Mineralogist 73 (1988) 1114-1119 High-pressure structure of anorthite Sample: P = 1 bar CELL PARAMETERS: 8.1820 12.8751 14.1770 93.210 115.840 91.200 SPACE GROUP: I-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.26440 0.98600 0.08640 1.000 1.080 Ca 0.26870 0.03230 0.54350 1.000 0.160 Ca 0.77380 0.53600 0.54160 1.000 0.600 Ca 0.76320 0.50380 0.07540 1.000 1.170 Si 0.00770 0.15740 0.10420 1.000 0.490 Al 0.00260 0.16350 0.61230 1.000 0.460 Al -0.00070 0.81450 0.11980 1.000 0.540 Si 0.00520 0.81780 0.61170 1.000 0.520 Al 0.68840 0.11250 0.15960 1.000 0.690 Si 0.67630 0.10500 0.65680 1.000 0.640 Si 0.67520 0.88100 0.18060 1.000 0.640 Al 0.68380 0.87460 0.67710 1.000 0.490 Oa 0.00720 0.12390 -0.00860 1.000 1.310 Oa 0.99870 0.12510 0.49050 1.000 1.440 Oa 0.57390 0.98910 0.13920 1.000 0.780 Oa 0.57230 0.99060 0.63800 1.000 0.690 Ob 0.82500 0.09840 0.09280 1.000 1.270 Ob 0.79860 0.10000 0.59270 1.000 1.410 Ob 0.80660 0.85510 0.12660 1.000 1.900 Ob 0.82740 0.85480 0.61820 1.000 1.900 Oc 0.01160 0.27780 0.13440 1.000 0.840 Oc 0.01290 0.29380 0.64810 1.000 0.960 Oc 0.00880 0.67940 0.10750 1.000 0.710 Oc 0.00750 0.69210 0.59950 1.000 0.870 Od 0.19040 0.10660 0.18540 1.000 1.170 Od 0.20290 0.10350 0.69290 1.000 1.530 Od 0.19790 0.86920 0.22130 1.000 1.800 Od 0.18710 0.86340 0.70860 1.000 2.400 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 11 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 5.934912635 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.57 7.70 6.5252 -1 1 0 13.80 71.27 6.4193 0 2 0 13.92 31.90 6.3630 0 0 2 14.18 1.75 6.2471 1 1 0 15.31 7.35 5.7890 -1 -1 2 15.66 20.85 5.6573 -1 1 2 17.73 1.79 5.0037 -1 -2 1 18.91 53.65 4.6921 0 -2 2 20.35 8.57 4.3639 0 2 2 21.42 1.06 4.1480 0 -3 1 21.99 13.50 4.0413 -2 0 2 23.52 19.87 3.7828 -1 3 0 24.20 17.78 3.6773 2 0 0 24.59 45.67 3.6203 1 3 0 24.70 18.01 3.6045 -1 -3 2 25.38 19.24 3.5096 -1 3 2 25.74 36.18 3.4616 -1 -1 4 25.94 13.31 3.4347 -2 2 2 26.17 24.19 3.4055 -2 -2 2 26.50 62.14 3.3633 -1 1 4 27.34 100.00 3.2626 -2 2 0 27.80 15.40 3.2096 0 4 0 27.92 91.07 3.1960 -2 0 4 28.05 73.33 3.1815 0 0 4 28.58 75.53 3.1235 2 2 0 29.35 30.22 3.0432 1 -3 2 30.27 47.70 2.9529 0 -4 2 30.44 20.16 2.9364 0 -2 4 30.89 3.26 2.8945 -2 -2 4 31.64 48.64 2.8282 1 3 2 31.90 18.16 2.8056 -1 -3 4 32.13 1.83 2.7858 0 4 2 33.04 3.04 2.7109 2 0 2 33.48 5.19 2.6765 -3 1 2 33.76 35.18 2.6548 -1 3 4 33.83 1.84 2.6494 -3 -1 2 35.04 11.12 2.5606 2 -2 2 35.47 17.11 2.5306 1 -1 4 35.55 28.75 2.5251 -2 4 2 35.76 10.93 2.5106 -3 -1 4 35.84 8.80 2.5053 -3 1 4 35.89 45.48 2.5019 -2 -4 2 36.54 6.29 2.4590 1 1 4 36.86 6.85 2.4386 2 2 2 36.98 5.18 2.4307 -3 1 0 37.36 3.95 2.4068 -1 -5 2 37.68 3.43 2.3870 1 5 0 37.70 5.94 2.3859 3 1 0 38.15 11.35 2.3592 -1 5 2 38.76 13.53 2.3234 -3 3 2 38.89 3.54 2.3158 -1 -1 6 39.20 1.37 2.2981 -2 -4 4 39.68 4.64 2.2712 -3 -3 2 39.80 8.49 2.2648 -1 1 6 40.27 5.31 2.2396 1 -5 2 40.40 3.22 2.2327 -2 4 4 41.22 6.84 2.1898 -3 3 4 41.52 1.64 2.1751 -3 3 0 41.85 6.46 2.1587 -2 2 6 42.14 22.16 2.1442 2 -4 2 42.24 13.08 2.1398 0 6 0 42.71 4.81 2.1169 1 3 4 43.18 21.20 2.0953 1 5 2 43.64 1.20 2.0740 0 -6 2 44.76 7.53 2.0248 -1 5 4 44.86 4.02 2.0207 -4 0 4 44.93 10.18 2.0176 -4 0 2 45.11 1.07 2.0097 2 0 4 45.18 6.82 2.0068 3 -1 2 45.53 5.31 1.9921 -1 3 6 45.70 4.32 1.9852 0 6 2 46.13 7.84 1.9677 3 1 2 46.34 1.94 1.9593 2 -2 4 46.76 3.09 1.9429 -4 2 2 47.02 10.28 1.9327 -4 2 4 47.09 2.46 1.9297 -3 -3 6 47.29 5.60 1.9222 -4 -2 4 47.69 5.58 1.9071 -4 -2 2 48.10 4.96 1.8917 -3 5 2 48.26 1.29 1.8858 -3 3 6 48.32 3.34 1.8837 -2 -6 2 48.44 9.30 1.8790 2 2 4 48.78 4.12 1.8670 3 -3 2 49.38 9.88 1.8457 -4 0 6 49.40 5.10 1.8450 -2 4 6 49.58 23.12 1.8386 4 0 0 49.59 1.43 1.8382 0 -6 4 49.65 5.00 1.8362 1 -1 6 49.78 1.97 1.8316 0 -4 6 50.41 1.89 1.8102 2 6 0 50.51 5.38 1.8069 -3 5 4 50.65 4.61 1.8022 -2 -6 4 50.69 4.13 1.8010 -1 7 0 50.78 11.55 1.7979 1 1 6 51.43 5.53 1.7768 3 3 2 51.44 1.35 1.7766 -1 -7 2 51.66 24.23 1.7693 -2 0 8 51.70 1.64 1.7680 -4 2 6 51.88 6.59 1.7624 2 -4 4 52.29 5.51 1.7496 -1 7 2 52.53 5.57 1.7422 1 5 4 52.66 3.81 1.7381 2 -6 2 52.81 7.06 1.7337 -4 4 2 52.90 1.76 1.7308 -2 -2 8 53.30 5.20 1.7189 0 6 4 53.35 2.81 1.7174 -4 4 4 53.48 5.91 1.7134 0 4 6 53.84 2.96 1.7027 -4 -4 4 54.50 3.64 1.6837 -4 -4 2 54.57 7.40 1.6817 -2 2 8 55.22 1.48 1.6634 -3 -5 6 56.26 2.07 1.6352 3 -5 2 56.60 1.50 1.6262 -5 1 4 56.75 1.78 1.6222 -3 -3 8 56.95 6.09 1.6169 -3 5 6 57.27 1.51 1.6086 -4 -4 6 57.42 3.25 1.6048 0 8 0 57.58 1.73 1.6007 3 1 4 57.92 1.54 1.5922 -1 7 4 57.99 2.20 1.5904 4 0 2 58.03 2.22 1.5894 -5 1 2 58.78 2.66 1.5708 0 -2 8 58.96 1.04 1.5665 4 -2 2 59.18 1.63 1.5613 -4 -2 8 59.30 3.70 1.5583 3 -3 4 59.78 2.15 1.5470 2 -2 6 59.92 1.58 1.5436 1 -7 4 60.07 3.48 1.5403 -4 2 8 60.12 1.15 1.5390 -3 7 2 60.19 3.30 1.5374 -5 3 4 60.25 5.92 1.5361 3 5 2 60.88 2.05 1.5216 2 -6 4 61.01 2.73 1.5186 0 2 8 61.04 1.85 1.5181 -5 -3 4 61.91 6.28 1.4988 -2 8 0 62.10 2.20 1.4946 2 2 6 62.21 6.84 1.4923 -4 6 2 62.46 3.50 1.4869 3 3 4 62.47 3.34 1.4867 -2 -8 2 62.48 2.62 1.4865 -3 7 4 62.92 4.59 1.4771 -5 3 6 62.93 3.86 1.4768 -5 -3 6 62.95 1.07 1.4766 -5 -3 2 62.95 1.50 1.4765 0 -8 4 62.97 4.34 1.4761 -4 6 4 64.01 10.37 1.4546 0 6 6 64.25 3.26 1.4498 2 -4 6 64.52 2.84 1.4444 2 8 0 65.03 2.15 1.4343 3 7 0 65.13 1.21 1.4323 -5 -1 8 65.21 3.49 1.4307 -4 6 0 65.39 2.14 1.4272 -5 1 8 66.07 1.49 1.4141 2 6 4 66.27 1.26 1.4104 1 1 8 67.30 2.24 1.3913 4 4 2 67.42 5.11 1.3891 -4 6 6 67.45 5.74 1.3886 1 -3 8 67.51 4.28 1.3874 1 9 0 67.59 1.29 1.3860 0 4 8 68.12 3.53 1.3765 1 -9 2 68.47 2.91 1.3703 -5 -3 8 68.49 2.37 1.3699 5 3 0 68.68 5.08 1.3667 2 4 6 68.94 2.53 1.3620 -4 0 10 69.00 8.10 1.3610 -6 0 4 69.00 2.56 1.3610 4 6 0 69.33 6.84 1.3555 4 0 4 69.67 3.93 1.3496 -1 -9 4 69.95 1.01 1.3448 4 -2 4 70.04 1.39 1.3433 -4 -2 10 70.13 3.36 1.3419 -5 5 6 70.15 1.28 1.3415 2 8 2 70.20 1.96 1.3408 -1 1 10 70.67 1.05 1.3329 -5 -5 2 70.67 1.26 1.3329 3 5 4 71.05 1.49 1.3268 0 -8 6 71.26 1.17 1.3233 0 -6 8 71.31 1.83 1.3226 3 1 6 71.41 1.21 1.3209 -6 2 6 71.45 1.82 1.3203 -1 -3 10 71.86 1.63 1.3138 3 7 2 71.86 1.23 1.3137 5 -1 2 72.65 1.85 1.3014 2 -8 4 72.83 1.80 1.2986 -6 2 2 72.84 1.18 1.2984 -4 -6 8 72.87 2.52 1.2980 -1 9 4 72.88 1.26 1.2979 5 1 2 73.17 2.06 1.2935 -2 8 6 74.16 1.19 1.2786 -6 0 8 74.29 3.12 1.2767 -3 9 2 74.67 2.40 1.2712 2 0 8 74.78 1.06 1.2696 -1 3 10 75.13 1.22 1.2645 -6 4 4 75.27 1.64 1.2625 -4 8 4 76.09 2.95 1.2509 -4 -8 4 76.25 1.11 1.2487 -3 -9 4 77.03 2.27 1.2380 -6 -4 6 77.17 2.68 1.2361 -4 4 10 77.30 1.35 1.2343 5 3 2 77.31 2.17 1.2342 -6 4 2 77.94 1.58 1.2258 6 0 0 77.95 1.74 1.2257 -5 7 2 78.74 2.47 1.2154 -6 2 0 79.04 5.00 1.2115 2 8 4 79.16 2.32 1.2099 -3 5 10 80.51 1.92 1.1930 6 2 0 82.31 1.48 1.1715 1 -7 8 82.39 1.44 1.1704 -4 -6 10 82.44 1.42 1.1699 -3 9 6 82.61 2.11 1.1680 -1 5 10 82.76 1.29 1.1662 4 -8 2 82.88 4.54 1.1649 -6 4 0 83.15 1.35 1.1617 0 10 4 83.59 2.03 1.1568 -2 8 8 83.77 1.05 1.1547 0 4 10 83.86 1.75 1.1537 3 5 6 84.66 2.70 1.1448 -2 6 10 85.55 1.54 1.1351 -1 -9 8 86.28 1.41 1.1274 -1 -11 4 86.39 2.50 1.1263 6 4 0 87.35 2.03 1.1164 -4 8 8 89.83 1.40 1.0919 -2 -8 10 89.91 1.35 1.0911 -3 7 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.