Labradorite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100170 Wenk H R, Joswig W, Tagai T, Korekawa M, Smith B K American Mineralogist 65 (1980) 81-95 The average structure of An 62-66 labradorite Lake County x-ray feldspar _database_code_amcsd 0000759 CELL PARAMETERS: 8.1860 12.8830 7.1160 93.434 116.164 90.386 SPACE GROUP: C-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.26630 0.98340 0.16870 0.317 2.387 Na 0.26630 0.98340 0.16870 0.183 2.387 Ca 0.27090 0.03000 0.09700 0.317 1.756 Na 0.27090 0.03000 0.09700 0.183 1.756 Si 0.00588 0.16271 0.21481 0.587 0.961 Al 0.00588 0.16271 0.21481 0.412 0.961 Si 0.00275 0.81645 0.23109 0.587 0.771 Al 0.00275 0.81645 0.23109 0.412 0.771 Si 0.68425 0.10878 0.31709 0.587 0.782 Al 0.68425 0.10878 0.31709 0.412 0.782 Si 0.68086 0.87873 0.35765 0.587 0.795 Al 0.68086 0.87873 0.35165 0.412 0.795 Oa 0.00270 0.12810 0.97960 1.000 1.683 Oa 0.57870 0.99130 0.27770 1.000 1.190 Ob 0.81210 0.10330 0.18790 1.000 1.747 Ob 0.81520 0.85400 0.24350 1.000 2.396 Oc 0.01410 0.28920 0.28300 1.000 1.760 Oc 0.01150 0.68660 0.21180 1.000 1.677 Od 0.19760 0.10650 0.38160 1.000 1.625 Od 0.19060 0.86570 0.43070 1.000 2.112 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: 4.691006017 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.67 7.56 6.4792 -1 1 0 15.19 1.16 5.8311 -1 -1 1 18.92 7.45 4.6915 0 -2 1 21.96 76.84 4.0479 -2 0 1 22.78 15.83 3.9029 1 -1 1 23.65 24.80 3.7625 1 1 1 23.66 39.68 3.7611 -1 3 0 24.44 32.41 3.6418 1 3 0 24.54 14.24 3.6274 -1 -3 1 25.44 1.47 3.5016 -1 3 1 25.62 13.48 3.4773 -1 -1 2 25.97 4.45 3.4307 -2 -2 1 26.44 25.37 3.3714 -1 1 2 27.53 52.85 3.2396 -2 2 0 27.77 57.90 3.2128 0 4 0 27.80 90.20 3.2087 -2 0 2 28.01 100.00 3.1856 0 0 2 28.44 42.71 3.1379 2 2 0 29.50 23.98 3.0275 1 -3 1 30.27 25.01 2.9530 0 -4 1 30.43 15.59 2.9371 0 -2 2 30.66 11.39 2.9156 -2 -2 2 31.51 23.68 2.8390 1 3 1 31.75 8.73 2.8187 -1 -3 2 33.74 14.08 2.6566 -1 3 2 35.26 3.18 2.5457 2 -2 1 35.54 5.01 2.5258 1 -1 2 35.58 4.45 2.5233 -3 -1 2 35.61 29.23 2.5210 -2 -4 1 35.74 20.21 2.5120 -2 4 1 35.83 1.46 2.5063 -3 1 2 36.48 2.21 2.4633 -2 4 0 36.61 1.07 2.4544 -1 5 0 36.77 3.54 2.4439 2 2 1 37.14 4.11 2.4207 -3 1 0 37.18 5.30 2.4181 -1 -5 1 37.67 3.12 2.3880 3 1 0 37.89 3.11 2.3745 2 4 0 38.21 2.91 2.3551 -1 5 1 39.00 5.82 2.3097 -3 3 1 39.41 6.73 2.2864 -3 -3 1 39.70 3.21 2.2706 -1 1 3 39.99 1.62 2.2543 1 -3 2 40.44 4.74 2.2306 1 -5 1 40.48 2.39 2.2282 -2 4 2 41.28 1.77 2.1868 0 4 2 41.77 2.66 2.1625 -2 2 3 41.83 1.45 2.1597 -3 3 0 42.14 1.21 2.1444 -1 -5 2 42.19 9.17 2.1418 0 6 0 42.44 12.59 2.1300 2 -4 1 42.99 9.07 2.1038 1 5 1 43.14 1.84 2.0972 -3 1 3 43.25 1.50 2.0919 3 3 0 44.75 1.41 2.0251 -1 5 2 44.78 2.31 2.0240 -4 0 2 44.94 3.43 2.0169 -4 0 1 45.19 1.13 2.0066 2 0 2 45.37 1.80 1.9988 3 -1 1 45.45 2.23 1.9956 -1 3 3 45.62 4.86 1.9886 0 6 1 46.14 1.94 1.9672 3 1 1 46.54 3.20 1.9514 2 -2 2 47.02 3.16 1.9325 -4 -2 2 47.13 9.53 1.9284 -4 2 2 48.38 7.64 1.8812 2 2 2 48.40 4.87 1.8805 -2 6 0 48.43 1.06 1.8796 -3 5 1 49.11 1.52 1.8550 3 -3 1 49.21 11.39 1.8516 -4 0 3 49.38 1.44 1.8454 -2 4 3 49.60 3.56 1.8381 0 -6 2 49.67 14.23 1.8355 4 0 0 49.70 2.65 1.8346 1 -1 3 49.78 2.50 1.8316 0 -4 3 50.10 4.91 1.8209 2 6 0 50.31 3.11 1.8137 -2 -6 2 50.75 8.89 1.7991 1 1 3 50.82 2.13 1.7967 -1 7 0 51.23 1.04 1.7832 -1 -7 1 51.27 1.16 1.7818 3 3 1 51.46 22.79 1.7757 -2 0 4 52.17 5.63 1.7534 2 -4 2 52.25 1.91 1.7508 -2 6 2 52.34 1.14 1.7479 4 2 0 52.34 1.79 1.7479 1 5 2 52.36 1.37 1.7475 -1 7 1 52.64 3.00 1.7387 -2 -2 4 52.89 1.51 1.7310 1 -3 3 53.17 3.32 1.7226 -4 4 1 53.18 2.86 1.7225 0 6 2 53.35 2.12 1.7172 0 4 3 53.41 6.25 1.7154 -4 -4 2 53.61 3.55 1.7096 -4 4 2 54.14 1.65 1.6942 -4 -4 1 54.43 3.92 1.6857 -2 2 4 54.77 1.42 1.6760 -3 -5 3 55.53 3.33 1.6548 2 4 2 56.21 1.23 1.6364 -1 -3 4 56.36 1.40 1.6324 -3 -3 4 56.70 1.63 1.6236 3 -5 1 56.79 1.05 1.6210 -4 -4 3 57.06 4.04 1.6141 -3 5 3 57.36 2.29 1.6064 0 8 0 58.13 1.21 1.5870 4 0 1 58.18 1.62 1.5857 -5 1 1 58.24 1.44 1.5842 0 -8 1 58.74 2.26 1.5719 0 -2 4 58.79 1.86 1.5707 -4 -2 4 59.64 1.31 1.5503 3 -3 2 59.95 2.95 1.5430 3 5 1 59.96 2.09 1.5428 -4 2 4 59.96 1.39 1.5427 2 -2 3 60.12 1.03 1.5391 1 -7 2 60.67 1.17 1.5263 -5 -3 2 60.89 1.05 1.5213 0 2 4 61.13 1.82 1.5160 -2 4 4 61.23 1.44 1.5138 2 -6 2 62.08 5.22 1.4950 -2 -8 1 62.22 5.58 1.4921 -2 8 0 62.34 1.36 1.4895 3 3 2 62.50 3.81 1.4861 -5 -3 3 62.69 5.43 1.4821 -4 6 1 62.95 1.30 1.4765 0 -8 2 63.05 2.52 1.4743 -5 3 3 63.08 1.18 1.4738 -4 -6 2 63.34 3.91 1.4684 -4 6 2 63.85 6.09 1.4579 0 6 3 64.13 3.49 1.4521 2 8 0 64.52 3.41 1.4443 2 -4 3 65.08 1.05 1.4333 1 -1 4 65.23 1.82 1.4303 -5 1 4 65.75 1.09 1.4202 -3 -7 3 65.76 1.40 1.4200 -4 6 0 65.79 4.02 1.4195 2 6 2 65.91 1.61 1.4171 2 -8 1 66.22 1.78 1.4114 1 1 4 67.06 2.43 1.3957 4 4 1 67.26 3.15 1.3920 1 9 0 67.54 5.45 1.3868 1 -3 4 67.67 2.81 1.3846 -4 6 3 67.96 3.91 1.3794 -5 -3 4 68.28 1.12 1.3736 5 3 0 68.29 3.22 1.3735 1 -9 1 68.50 2.65 1.3697 2 4 3 68.55 2.28 1.3690 4 6 0 68.62 4.09 1.3677 -4 0 5 68.98 6.83 1.3615 -6 0 2 69.45 4.89 1.3533 -1 -9 2 69.49 6.66 1.3526 4 0 2 69.60 1.80 1.3509 -4 -2 5 69.77 2.03 1.3479 2 8 1 70.01 3.06 1.3438 -1 1 5 70.30 1.09 1.3391 4 -2 2 70.42 1.86 1.3371 -5 5 3 70.92 1.34 1.3289 -6 -2 2 71.06 1.56 1.3267 0 -8 3 71.27 1.28 1.3233 0 -6 4 71.27 2.79 1.3233 -1 -3 5 71.36 1.15 1.3218 3 1 3 71.50 1.14 1.3195 -6 2 3 72.21 1.13 1.3083 -4 -6 4 72.68 1.10 1.3010 3 -3 3 72.87 1.71 1.2981 -1 9 2 73.04 3.17 1.2954 2 -8 2 73.92 1.13 1.2822 -6 0 4 74.72 1.30 1.2704 -3 9 1 74.72 1.38 1.2704 2 0 4 74.89 1.19 1.2680 -4 8 1 75.41 3.73 1.2605 -4 -8 2 75.54 2.11 1.2586 -6 4 2 75.73 3.32 1.2560 -4 8 2 76.47 2.30 1.2457 -6 -4 3 76.69 1.50 1.2426 -5 -3 5 77.08 2.00 1.2373 -4 4 5 77.83 1.00 1.2273 -6 4 1 78.10 3.58 1.2237 6 0 0 78.23 1.20 1.2220 4 4 2 78.66 4.01 1.2164 2 8 2 79.06 1.99 1.2112 -3 5 5 80.43 1.20 1.1940 6 2 0 81.72 1.11 1.1784 -4 -6 5 82.41 1.21 1.1703 -1 5 5 82.51 1.56 1.1691 1 -7 4 82.67 1.87 1.1672 -3 9 3 83.49 2.62 1.1579 -6 4 0 83.61 2.19 1.1565 3 5 3 84.19 1.25 1.1500 -5 -7 4 84.52 2.17 1.1464 -2 6 5 85.34 1.36 1.1374 -1 -9 4 86.02 1.38 1.1302 -1 -11 2 86.06 2.27 1.1297 6 4 0 86.12 1.37 1.1292 -3 -9 4 87.57 1.00 1.1141 -4 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.