Elpidite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060200 Cannillo E, Rossi G, Ungaretti L American Mineralogist 58 (1973) 106-109 The crystal structure of elpidite CELL PARAMETERS: 7.1000 14.6470 14.5730 90.000 90.000 90.000 SPACE GROUP: Pbcm ATOM X Y Z OCCUPANCY ISO(B) Zr 0.49500 0.25000 0.50000 1.000 0.394 Si 0.77200 0.38540 0.64620 1.000 0.400 Si 0.50860 0.04760 0.64130 1.000 0.510 Si 0.21700 0.39280 0.64350 1.000 0.490 Na 0.43620 0.22990 0.75000 1.000 2.070 Na -0.00270 0.25000 0.50000 1.000 2.020 O 0.99660 0.40470 0.63920 1.000 1.460 O 0.71560 0.35380 0.75000 1.000 1.330 O 0.70770 0.30990 0.57720 1.000 1.380 O 0.67810 0.48250 0.62770 1.000 1.530 O 0.52850 0.07130 0.75000 1.000 0.930 O 0.49040 0.14050 0.58860 1.000 1.200 O 0.30290 0.48880 0.61190 1.000 0.510 O 0.28810 0.37700 0.75000 1.000 0.790 O 0.29280 0.30970 0.58230 1.000 0.800 Wa 0.01040 0.11300 0.58100 1.000 2.610 Wa 0.12330 0.18950 0.75000 1.000 3.040 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 13 +/- 13 MAX. ABS. INTENSITY / VOLUME**2: 8.503224186 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.07 / 12.11 9.73 / 4.87 7.3235 0 2 0 12.14 / 12.17 11.45 / 5.73 7.2865 0 0 2 12.46 / 12.49 93.65 / 46.82 7.1000 1 0 0 13.52 / 13.55 58.99 / 29.49 6.5437 0 2 1 13.85 / 13.88 3.64 / 1.82 6.3889 1 1 0 17.15 / 17.20 69.19 / 34.59 5.1654 0 2 2 17.38 / 17.43 5.09 / 2.54 5.0976 1 2 0 17.43 / 17.47 6.29 / 3.15 5.0851 1 0 2 18.42 / 18.47 23.32 / 11.66 4.8118 1 2 1 18.45 / 18.50 1.90 / 0.95 4.8038 1 1 2 21.25 / 21.31 41.35 / 20.67 4.1769 1 2 2 21.94 / 21.99 1.75 / 0.88 4.0481 0 2 3 22.91 / 22.97 4.36 / 2.18 3.8779 1 3 1 24.41 / 24.47 12.75 / 6.38 3.6432 0 0 4 25.06 / 25.13 4.30 / 2.15 3.5500 2 0 0 27.23 / 27.30 23.19 / 11.59 3.2718 0 4 2 27.32 / 27.39 100.00 / 50.00 3.2619 0 2 4 27.38 / 27.45 44.08 / 22.04 3.2544 1 4 0 27.49 / 27.56 5.19 / 2.59 3.2414 1 0 4 27.91 / 27.98 8.81 / 4.40 3.1945 2 2 0 27.93 / 28.00 20.88 / 10.44 3.1914 2 0 2 28.07 / 28.14 15.91 / 7.95 3.1762 1 4 1 28.17 / 28.24 1.14 / 0.57 3.1648 1 1 4 28.58 / 28.66 97.44 / 48.72 3.1204 2 2 1 30.05 / 30.12 7.46 / 3.73 2.9715 1 4 2 30.13 / 30.20 26.36 / 13.18 2.9641 1 2 4 30.53 / 30.61 21.16 / 10.58 2.9257 2 2 2 30.55 / 30.63 3.27 / 1.63 2.9240 0 4 3 31.12 / 31.20 1.18 / 0.59 2.8712 2 3 0 33.05 / 33.14 13.30 / 6.65 2.7080 0 2 5 33.55 / 33.63 21.40 / 10.70 2.6691 2 2 3 33.63 / 33.72 1.34 / 0.67 2.6624 1 5 1 34.70 / 34.79 22.51 / 11.25 2.5827 0 4 4 35.18 / 35.27 12.71 / 6.35 2.5488 2 4 0 35.27 / 35.36 17.90 / 8.95 2.5426 2 0 4 35.45 / 35.54 12.20 / 6.10 2.5302 1 2 5 35.73 / 35.82 1.84 / 0.92 2.5107 2 4 1 36.79 / 36.88 5.00 / 2.50 2.4412 0 6 0 37.32 / 37.41 8.18 / 4.09 2.4076 0 6 1 37.41 / 37.51 19.51 / 9.76 2.4019 2 2 4 38.01 / 38.11 1.78 / 0.89 2.3653 1 5 3 38.50 / 38.60 1.41 / 0.70 2.3364 3 1 0 38.87 / 38.98 2.11 / 1.05 2.3147 0 6 2 39.48 / 39.59 1.35 / 0.68 2.2804 0 4 5 40.00 / 40.11 2.15 / 1.08 2.2520 3 2 0 40.50 / 40.60 3.60 / 1.80 2.2256 3 2 1 41.36 / 41.47 6.89 / 3.44 2.1812 0 6 3 41.56 / 41.67 2.37 / 1.18 2.1712 1 4 5 41.96 / 42.06 3.54 / 1.77 2.1516 3 2 2 43.29 / 43.40 14.77 / 7.39 2.0885 2 4 4 44.65 / 44.76 3.81 / 1.91 2.0280 0 6 4 44.74 / 44.85 3.71 / 1.85 2.0241 0 4 6 45.03 / 45.15 13.75 / 6.87 2.0115 2 6 0 45.20 / 45.31 2.13 / 1.07 2.0046 2 0 6 45.67 / 45.79 2.17 / 1.09 1.9847 3 0 4 46.53 / 46.66 17.02 / 8.51 1.9500 1 6 4 46.62 / 46.75 4.31 / 2.15 1.9465 1 4 6 46.81 / 46.94 7.43 / 3.72 1.9390 2 6 2 46.96 / 47.08 8.43 / 4.22 1.9334 2 2 6 47.34 / 47.46 6.16 / 3.08 1.9187 2 4 5 47.37 / 47.49 1.87 / 0.93 1.9176 3 4 2 47.42 / 47.55 3.37 / 1.69 1.9156 3 2 4 48.61 / 48.74 4.95 / 2.48 1.8715 0 6 5 49.76 / 49.89 4.89 / 2.44 1.8309 0 8 0 50.03 / 50.16 11.07 / 5.54 1.8216 0 0 8 51.42 / 51.55 2.14 / 1.07 1.7757 0 8 2 51.44 / 51.58 16.09 / 8.05 1.7750 4 0 0 51.77 / 51.91 3.74 / 1.87 1.7645 1 0 8 51.88 / 52.02 5.67 / 2.83 1.7609 2 6 4 51.96 / 52.10 21.14 / 10.57 1.7583 2 4 6 52.39 / 52.53 9.21 / 4.60 1.7449 3 4 4 52.42 / 52.56 2.43 / 1.22 1.7442 2 2 7 53.06 / 53.20 2.53 / 1.26 1.7246 4 0 2 53.12 / 53.27 1.30 / 0.65 1.7226 1 8 2 53.15 / 53.29 8.61 / 4.31 1.7218 0 6 6 53.44 / 53.58 1.10 / 0.55 1.7132 0 8 3 53.44 / 53.58 1.43 / 0.72 1.7131 4 2 1 53.91 / 54.06 3.80 / 1.90 1.6992 3 6 0 54.06 / 54.20 5.52 / 2.76 1.6950 3 0 6 54.31 / 54.45 4.52 / 2.26 1.6878 3 6 1 54.63 / 54.78 8.65 / 4.33 1.6787 4 2 2 54.82 / 54.97 1.84 / 0.92 1.6733 1 6 6 55.48 / 55.63 1.09 / 0.55 1.6548 3 6 2 55.95 / 56.10 3.06 / 1.53 1.6421 3 4 5 56.37 / 56.52 2.19 / 1.10 1.6310 0 4 8 56.75 / 56.91 1.22 / 0.61 1.6207 2 0 8 57.40 / 57.56 2.51 / 1.26 1.6039 3 6 3 57.79 / 57.95 5.37 / 2.68 1.5942 1 8 4 57.97 / 58.13 4.48 / 2.24 1.5896 1 4 8 58.03 / 58.19 12.81 / 6.40 1.5881 2 8 2 58.26 / 58.42 6.06 / 3.03 1.5824 2 2 8 58.31 / 58.47 2.23 / 1.11 1.5810 0 2 9 59.17 / 59.33 4.53 / 2.27 1.5602 4 4 2 59.21 / 59.38 6.54 / 3.27 1.5591 4 2 4 59.58 / 59.75 2.92 / 1.46 1.5504 0 8 5 59.89 / 60.05 2.13 / 1.07 1.5432 1 2 9 60.51 / 60.68 1.01 / 0.50 1.5287 3 2 7 62.46 / 62.63 8.12 / 4.06 1.4858 2 8 4 62.51 / 62.69 1.23 / 0.61 1.4845 4 2 5 62.63 / 62.80 8.84 / 4.42 1.4820 2 4 8 63.30 / 63.48 1.28 / 0.64 1.4680 3 6 5 63.55 / 63.72 7.96 / 3.98 1.4628 4 4 4 63.59 / 63.76 2.27 / 1.14 1.4620 0 8 6 63.69 / 63.86 2.68 / 1.34 1.4600 0 6 8 64.19 / 64.37 1.80 / 0.90 1.4497 1 4 9 64.50 / 64.68 1.89 / 0.94 1.4435 3 0 8 64.62 / 64.81 1.04 / 0.52 1.4410 3 8 1 64.90 / 65.08 3.54 / 1.77 1.4356 4 6 0 64.96 / 65.14 4.40 / 2.20 1.4345 1 10 0 65.03 / 65.21 1.72 / 0.86 1.4331 4 0 6 65.18 / 65.37 1.80 / 0.90 1.4300 1 6 8 65.22 / 65.40 2.37 / 1.19 1.4293 0 2 10 65.25 / 65.43 1.42 / 0.71 1.4287 4 6 1 65.68 / 65.87 2.47 / 1.24 1.4203 3 8 2 65.90 / 66.08 1.97 / 0.98 1.4163 3 2 8 66.30 / 66.49 1.12 / 0.56 1.4085 4 6 2 66.42 / 66.60 1.04 / 0.52 1.4064 4 2 6 66.70 / 66.89 2.18 / 1.09 1.4012 1 2 10 67.18 / 67.37 1.08 / 0.54 1.3923 3 6 6 67.43 / 67.62 1.07 / 0.53 1.3878 3 8 3 67.43 / 67.62 1.01 / 0.51 1.3877 5 2 1 68.47 / 68.66 1.74 / 0.87 1.3692 5 2 2 68.61 / 68.80 2.31 / 1.15 1.3667 2 4 9 69.06 / 69.25 3.57 / 1.79 1.3590 0 10 4 69.35 / 69.54 3.56 / 1.78 1.3540 0 4 10 69.35 / 69.54 6.51 / 3.25 1.3540 2 10 0 69.57 / 69.77 3.07 / 1.53 1.3502 2 6 8 69.62 / 69.82 6.07 / 3.04 1.3494 0 6 9 69.69 / 69.89 1.68 / 0.84 1.3482 2 10 1 69.69 / 69.89 1.85 / 0.92 1.3481 2 0 10 70.51 / 70.71 2.15 / 1.08 1.3345 4 4 6 70.71 / 70.91 1.73 / 0.87 1.3312 2 10 2 71.04 / 71.24 3.17 / 1.59 1.3259 2 2 10 71.16 / 71.36 3.46 / 1.73 1.3239 5 4 0 71.49 / 71.70 1.07 / 0.53 1.3185 5 4 1 72.50 / 72.71 1.07 / 0.53 1.3026 5 4 2 72.54 / 72.75 1.93 / 0.96 1.3020 5 2 4 73.24 / 73.45 2.14 / 1.07 1.2913 0 8 8 73.47 / 73.68 3.62 / 1.81 1.2879 4 6 5 74.37 / 74.59 1.96 / 0.98 1.2744 4 8 0 74.59 / 74.81 2.32 / 1.16 1.2713 4 0 8 75.54 / 75.76 3.32 / 1.66 1.2576 5 2 5 75.70 / 75.92 1.13 / 0.57 1.2554 3 4 9 75.70 / 75.92 1.17 / 0.58 1.2554 4 8 2 76.41 / 76.63 2.13 / 1.07 1.2455 3 10 0 76.62 / 76.85 2.00 / 1.00 1.2425 3 6 8 77.11 / 77.34 3.17 / 1.58 1.2359 4 6 6 77.16 / 77.39 1.02 / 0.51 1.2352 1 10 6 77.72 / 77.95 1.53 / 0.76 1.2277 3 10 2 78.02 / 78.25 1.91 / 0.96 1.2238 2 2 11 78.04 / 78.27 1.87 / 0.93 1.2235 3 2 10 78.59 / 78.82 1.43 / 0.71 1.2163 0 12 1 80.02 / 80.26 2.46 / 1.23 1.1981 0 2 12 81.28 / 81.53 2.54 / 1.27 1.1826 2 10 6 81.39 / 81.63 1.51 / 0.75 1.1814 1 2 12 81.45 / 81.70 1.25 / 0.63 1.1806 4 2 9 81.49 / 81.74 1.69 / 0.84 1.1801 2 6 10 82.52 / 82.77 1.02 / 0.51 1.1680 6 0 2 82.55 / 82.80 1.39 / 0.69 1.1677 4 8 5 82.94 / 83.19 2.72 / 1.36 1.1632 5 6 4 83.00 / 83.25 2.53 / 1.26 1.1625 5 4 6 83.45 / 83.70 1.68 / 0.84 1.1574 0 12 4 83.80 / 84.05 1.69 / 0.84 1.1535 6 2 2 84.81 / 85.07 1.56 / 0.78 1.1423 1 12 4 86.09 / 86.36 1.03 / 0.51 1.1285 4 8 6 86.18 / 86.45 2.55 / 1.28 1.1275 4 6 8 86.23 / 86.50 1.74 / 0.87 1.1270 1 10 8 86.33 / 86.60 1.00 / 0.50 1.1260 6 4 0 86.35 / 86.62 1.41 / 0.71 1.1258 1 8 10 87.57 / 87.84 2.84 / 1.42 1.1132 4 2 10 87.65 / 87.92 2.12 / 1.06 1.1124 6 2 4 88.86 / 89.14 1.62 / 0.81 1.1004 2 12 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.