Sodicgedrite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060330 Papike J J, Ross M American Mineralogist 55 (1970) 1945-1972 Gedrites: Crystal structures and intracrystalline cation distributions sample 002 _database_code_amcsd 0000216 CELL PARAMETERS: 18.5780 17.9370 5.3150 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Si 0.23230 -0.16260 -0.45050 0.730 0.560 Al 0.23230 -0.16260 -0.45050 0.270 0.560 Si 0.01990 -0.16410 0.30180 0.560 0.500 Al 0.01990 -0.16410 0.30180 0.440 0.500 Si 0.22820 -0.07590 0.05090 0.980 0.440 Al 0.22820 -0.07590 0.05090 0.020 0.440 Si 0.02680 -0.07990 -0.19470 0.710 0.590 Al 0.02680 -0.07990 -0.19470 0.290 0.590 Mg 0.12420 0.16030 0.37050 0.670 0.710 Fe 0.12420 0.16030 0.37050 0.330 0.710 Al 0.12470 0.07240 -0.12900 0.680 0.300 Mg 0.12470 0.07240 -0.12900 0.230 0.300 Fe 0.12470 0.07240 -0.12900 0.090 0.300 Mg 0.12430 0.25000 -0.12940 0.610 0.570 Fe 0.12430 0.25000 -0.12940 0.390 0.570 Fe 0.11840 -0.01530 0.36350 0.650 0.620 Mg 0.11840 -0.01530 0.36350 0.320 0.620 Ca 0.11840 -0.01530 0.36350 0.020 0.620 Na 0.11840 -0.01530 0.36350 0.010 0.620 Na 0.11710 -0.25000 0.84800 0.520 1.530 O 0.17900 0.15810 0.03150 1.000 0.780 O 0.07010 0.15680 -0.29000 1.000 0.760 O 0.18500 0.07310 -0.44090 1.000 0.800 O 0.06350 0.07390 0.18080 1.000 0.850 O 0.18110 0.25000 -0.46620 1.000 0.770 O 0.07010 0.25000 0.21110 1.000 0.900 O 0.18630 0.00280 0.04450 1.000 0.850 O 0.06850 -0.00490 -0.29860 1.000 0.860 O 0.19730 -0.11000 0.32150 1.000 0.780 O 0.05450 -0.10140 0.09890 1.000 1.010 O 0.20300 -0.13200 -0.17630 1.000 1.120 O 0.04730 -0.14610 -0.40360 1.000 1.100 O 0.20500 -0.25000 0.51410 1.000 1.180 O 0.04530 -0.25000 0.21540 1.000 0.770 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 17 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 6.053061499 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.86 53.00 8.9685 0 2 0 10.73 100.00 8.2485 2 1 0 17.35 1.74 5.1100 1 0 1 17.40 2.16 5.0960 0 1 1 17.64 4.47 5.0276 2 3 0 18.05 11.60 4.9145 1 1 1 19.11 4.65 4.6445 4 0 0 19.24 4.74 4.6132 2 0 1 19.80 12.80 4.4843 0 4 0 19.87 8.72 4.4678 2 1 1 21.55 7.67 4.1243 4 2 0 21.66 7.92 4.1023 2 2 1 22.60 2.38 3.9349 3 1 1 22.89 13.26 3.8846 1 3 1 24.37 31.84 3.6524 2 3 1 26.66 17.09 3.3436 3 3 1 27.37 10.57 3.2584 4 2 1 27.65 53.81 3.2260 4 4 0 28.83 1.50 3.0963 6 0 0 29.27 89.00 3.0512 6 1 0 29.33 1.28 3.0453 5 0 1 29.59 12.21 3.0188 4 3 1 29.76 1.48 3.0023 5 1 1 30.05 6.37 2.9735 0 5 1 30.44 3.47 2.9361 1 5 1 31.01 29.43 2.8836 5 2 1 31.59 41.96 2.8319 2 5 1 32.57 15.23 2.7495 6 3 0 33.01 10.37 2.7136 5 3 1 33.43 45.35 2.6805 3 5 1 33.49 1.36 2.6754 6 0 1 33.88 1.40 2.6462 6 1 1 34.08 4.91 2.6307 1 0 2 34.46 1.44 2.6029 1 1 2 34.77 56.36 2.5804 1 6 1 35.00 11.02 2.5638 6 2 1 35.12 54.97 2.5550 2 0 2 35.72 2.22 2.5138 4 6 0 35.79 18.58 2.5088 2 6 1 35.86 30.00 2.5042 4 5 1 36.80 18.22 2.4421 3 0 2 36.80 1.36 2.4421 6 3 1 37.16 4.62 2.4198 3 1 2 37.45 1.50 2.4017 3 6 1 38.19 1.57 2.3563 3 2 2 38.40 5.81 2.3440 6 5 0 38.79 21.75 2.3216 5 5 1 39.25 5.73 2.2954 7 2 1 39.34 4.11 2.2906 1 7 1 39.39 2.28 2.2878 4 1 2 39.66 3.65 2.2724 4 6 1 40.22 1.51 2.2421 0 8 0 40.26 7.16 2.2401 2 7 1 41.79 32.72 2.1615 5 0 2 41.98 1.17 2.1520 4 3 2 42.11 12.32 2.1460 5 1 2 42.13 5.42 2.1447 3 4 2 42.37 24.73 2.1333 5 6 1 42.62 1.60 2.1214 1 5 2 43.72 6.48 2.0705 8 2 1 43.91 1.19 2.0621 8 4 0 44.11 1.22 2.0532 1 8 1 44.57 2.64 2.0328 5 3 2 44.89 5.12 2.0192 4 8 0 45.50 33.11 1.9936 6 6 1 45.83 11.64 1.9800 7 5 1 45.97 2.81 1.9741 6 7 0 46.31 3.66 1.9607 5 7 1 46.61 1.49 1.9487 2 9 0 46.82 1.35 1.9402 4 5 2 47.24 1.07 1.9242 9 0 1 48.48 10.72 1.8779 7 0 2 48.76 1.30 1.8677 7 1 2 49.06 5.87 1.8568 1 9 1 49.21 2.00 1.8514 5 5 2 49.31 4.73 1.8479 10 1 0 49.56 5.34 1.8392 6 4 2 49.60 1.37 1.8380 7 2 2 49.67 1.47 1.8356 1 7 2 49.71 1.41 1.8339 8 6 0 49.82 9.13 1.8302 8 5 1 49.84 6.22 1.8296 2 9 1 50.91 3.13 1.7937 0 10 0 51.51 2.81 1.7741 10 3 0 52.58 6.55 1.7404 8 1 2 52.81 5.21 1.7336 8 6 1 52.86 6.10 1.7321 7 4 2 53.65 2.88 1.7084 2 2 3 53.71 2.58 1.7064 1 8 2 53.98 3.23 1.6987 0 3 3 54.22 2.03 1.6916 1 3 3 54.45 2.11 1.6852 2 8 2 54.86 5.00 1.6734 3 2 3 54.92 1.10 1.6718 2 10 1 55.07 1.78 1.6676 5 9 1 55.63 1.11 1.6522 5 7 2 55.65 1.05 1.6516 3 8 2 56.44 7.53 1.6302 9 0 2 56.70 2.50 1.6235 9 1 2 56.91 16.21 1.6180 9 6 1 57.10 1.80 1.6130 8 8 0 57.37 13.67 1.6061 2 11 0 57.77 1.04 1.5960 4 10 1 58.07 15.49 1.5885 0 5 3 58.30 11.30 1.5827 1 5 3 59.73 6.64 1.5482 12 0 0 59.84 1.85 1.5455 5 10 1 59.90 2.77 1.5441 3 9 2 60.42 1.07 1.5321 9 4 2 61.00 27.91 1.5190 1 6 3 61.28 22.87 1.5127 10 6 1 61.67 8.14 1.5040 2 6 3 61.88 1.88 1.4994 6 8 2 62.10 18.43 1.4948 0 12 0 63.33 1.98 1.4686 11 5 1 63.35 1.56 1.4681 2 10 2 63.71 1.81 1.4606 5 5 3 63.88 2.50 1.4573 0 7 3 64.60 9.45 1.4428 6 11 0 64.65 1.86 1.4418 10 4 2 64.75 2.15 1.4396 7 8 2 65.21 1.14 1.4307 7 3 3 65.48 15.80 1.4254 11 0 2 65.71 6.69 1.4209 11 1 2 65.91 18.99 1.4172 11 6 1 66.28 2.44 1.4101 5 6 3 67.56 1.14 1.3866 11 3 2 67.59 1.26 1.3860 1 11 2 68.31 4.90 1.3732 12 5 1 68.40 1.06 1.3715 8 10 1 68.63 7.55 1.3674 6 6 3 68.89 4.78 1.3630 7 5 3 69.29 9.14 1.3561 3 11 2 70.61 5.91 1.3340 12 1 2 70.72 1.23 1.3321 1 13 1 70.79 11.07 1.3310 12 6 1 70.93 1.10 1.3288 0 0 4 71.14 4.69 1.3254 1 0 4 71.21 1.48 1.3241 0 9 3 71.26 2.79 1.3234 14 1 0 71.36 2.14 1.3218 1 1 4 71.36 3.00 1.3217 7 6 3 72.03 1.66 1.3111 8 5 3 72.39 2.67 1.3054 12 3 2 72.63 3.47 1.3018 5 11 2 72.80 1.09 1.2992 3 0 4 73.08 1.16 1.2949 3 9 3 73.14 1.60 1.2940 1 3 4 73.39 10.30 1.2902 2 12 2 73.53 3.08 1.2880 13 5 1 74.24 5.77 1.2775 4 0 4 74.41 5.43 1.2749 3 12 2 74.52 1.18 1.2734 4 9 3 74.80 1.02 1.2692 10 2 3 75.32 1.54 1.2618 9 9 2 75.66 1.46 1.2569 8 12 0 77.24 1.52 1.2351 3 10 3 77.67 2.64 1.2294 5 12 2 78.52 1.26 1.2182 6 1 4 79.54 1.96 1.2051 5 4 4 80.55 3.75 1.1926 8 11 2 83.20 1.79 1.1611 16 0 0 83.89 2.86 1.1533 8 0 4 83.93 6.66 1.1529 9 11 2 87.29 1.36 1.1170 8 4 4 88.52 1.21 1.1046 14 9 0 88.81 3.71 1.1017 9 12 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.