Dalyite diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070415 Fleet S G Zeitschrift fur Kristallographie 121 (1965) 349-368 The crystal structure of dalyite CELL PARAMETERS: 7.3123 7.6050 6.9221 105.760 112.358 99.376 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) K 0.29320 0.18870 0.70830 0.850 1.900 Na 0.29320 0.18870 0.70830 0.150 1.900 Zr 0.00000 0.00000 0.00000 1.000 0.400 Si 0.49750 0.68170 0.68520 1.000 0.220 Si 0.16440 0.62260 0.84460 1.000 0.220 Si 0.18500 0.73890 0.30920 1.000 0.220 O 0.50000 0.50000 0.50000 1.000 1.000 O 0.01200 0.57680 0.30290 1.000 0.800 O 0.08140 0.80430 0.81270 1.000 0.800 O 0.10240 0.91310 0.26790 1.000 0.800 O 0.25110 0.64440 0.10580 1.000 0.800 O 0.28100 0.20750 0.12540 1.000 0.800 O 0.35650 0.60170 0.77870 1.000 0.800 O 0.39040 0.80690 0.54950 1.000 0.800 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 7.947335928 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.72 39.97 6.4530 1 0 0 14.87 19.02 5.9586 0 0 1 15.07 61.76 5.8804 -1 0 1 15.63 18.74 5.6707 0 -1 1 15.66 2.74 5.6575 -1 1 0 18.85 3.79 4.7075 -1 -1 1 20.59 55.58 4.3147 -1 1 1 21.36 74.54 4.1598 1 1 0 22.89 9.67 3.8855 0 1 1 24.45 56.59 3.6408 1 0 1 24.82 9.32 3.5874 -2 0 1 25.10 100.00 3.5472 -1 2 0 25.51 9.18 3.4920 0 2 0 26.56 50.32 3.3560 -1 -1 2 26.63 1.11 3.3478 -2 1 1 26.75 4.83 3.3331 -2 1 0 26.77 1.14 3.3305 -1 0 2 27.60 40.93 3.2315 1 -2 1 27.93 42.12 3.1940 0 -1 2 28.55 3.11 3.1260 -1 -2 1 29.24 98.51 3.0545 -2 -1 1 29.99 15.63 2.9793 0 0 2 30.91 2.85 2.8926 -1 2 1 31.55 29.46 2.8354 0 -2 2 31.63 17.98 2.8288 -2 2 0 31.86 9.80 2.8084 1 1 1 31.97 6.90 2.7996 -2 -1 2 32.08 1.52 2.7904 -1 -2 2 33.91 17.17 2.6434 2 1 0 34.11 60.84 2.6282 -2 1 2 34.18 25.20 2.6233 0 2 1 34.40 21.58 2.6070 2 -1 1 35.37 10.67 2.5377 1 -1 2 35.92 14.11 2.5002 0 -3 1 36.44 7.18 2.4654 2 -2 1 36.77 2.68 2.4439 1 -3 1 37.15 1.90 2.4201 2 0 1 37.38 18.12 2.4059 -3 1 1 37.57 2.14 2.3938 -3 0 1 37.92 3.04 2.3725 -2 -2 1 38.68 2.10 2.3280 0 3 0 39.46 1.72 2.2836 0 -3 2 40.39 8.79 2.2330 -1 -3 1 40.43 7.21 2.2309 -2 3 0 40.86 8.70 2.2084 -3 1 2 41.14 5.18 2.1941 -1 0 3 41.28 1.23 2.1870 -1 -3 2 41.46 2.85 2.1778 -1 -2 3 41.83 1.45 2.1596 -3 -1 2 41.87 15.34 2.1573 -2 2 2 42.12 1.18 2.1454 -3 -1 1 42.53 12.11 2.1258 0 -1 3 42.65 21.24 2.1201 1 -3 2 43.03 2.58 2.1020 -1 3 1 43.40 5.69 2.0848 0 -2 3 43.51 11.76 2.0799 2 2 0 43.92 5.86 2.0616 -2 3 1 44.35 2.84 2.0427 -2 -2 3 45.19 5.70 2.0066 1 3 0 45.55 1.13 1.9916 1 1 2 45.68 3.14 1.9862 0 0 3 46.35 3.41 1.9590 2 -1 2 46.76 5.30 1.9428 0 2 2 46.80 2.88 1.9411 0 3 1 47.01 2.04 1.9329 -1 1 3 47.64 4.51 1.9089 -2 -3 2 47.83 12.85 1.9019 3 1 0 48.14 1.37 1.8902 0 -3 3 48.16 1.26 1.8895 1 -4 1 48.27 1.45 1.8854 3 -2 1 48.98 1.11 1.8597 -2 -3 1 49.26 3.90 1.8497 -3 3 1 49.71 1.56 1.8339 1 -2 3 50.04 6.78 1.8226 -3 -2 1 50.11 11.44 1.8204 2 0 2 50.11 5.06 1.8203 1 -1 3 50.34 2.04 1.8127 -4 1 1 50.91 4.77 1.7937 -4 0 2 51.19 2.70 1.7843 3 0 1 51.36 8.93 1.7789 -2 -3 3 51.41 9.88 1.7775 -3 -2 3 51.50 3.38 1.7745 1 -4 2 51.53 1.38 1.7736 -2 4 0 51.91 4.66 1.7614 2 -4 1 52.23 1.03 1.7515 -2 3 2 52.27 1.33 1.7503 3 -3 1 52.60 1.07 1.7400 -4 2 1 52.90 5.26 1.7307 1 -3 3 53.20 3.67 1.7216 -2 -1 4 53.41 1.88 1.7156 -1 -4 1 53.45 2.30 1.7143 -1 3 2 53.51 1.10 1.7125 2 2 1 53.79 1.95 1.7042 -2 2 3 54.24 4.96 1.6913 -1 -2 4 54.41 4.05 1.6864 -4 1 0 54.48 2.05 1.6843 1 3 1 54.99 12.31 1.6699 -4 0 3 55.08 8.61 1.6674 -3 3 2 55.12 1.58 1.6662 2 3 0 55.15 8.38 1.6653 -2 0 4 55.27 5.62 1.6620 1 2 2 55.77 4.79 1.6483 -3 2 3 55.81 2.87 1.6471 -1 2 3 55.91 3.05 1.6444 -2 4 1 55.99 1.10 1.6425 0 -4 3 56.27 6.64 1.6349 -1 4 1 56.37 1.18 1.6322 -4 -1 1 56.56 1.00 1.6272 -3 -1 4 56.57 6.61 1.6270 3 2 0 56.59 6.69 1.6265 -1 -4 3 56.64 1.76 1.6250 -4 1 3 56.88 3.24 1.6188 -1 0 4 57.00 1.22 1.6158 2 -4 2 57.07 1.16 1.6138 2 1 2 57.09 2.43 1.6132 4 0 0 57.14 4.49 1.6119 -3 4 0 57.37 5.71 1.6061 -3 0 4 57.38 2.79 1.6058 -3 -3 2 57.73 1.04 1.5970 0 -2 4 57.97 2.33 1.5909 -1 -3 4 58.15 6.49 1.5865 -4 3 1 58.77 2.33 1.5711 1 4 0 59.11 2.88 1.5630 -2 -4 2 59.27 2.68 1.5591 1 -4 3 59.36 3.55 1.5569 3 -4 1 59.44 1.63 1.5551 -3 4 1 59.47 2.29 1.5544 3 -1 2 60.58 3.77 1.5286 3 -3 2 60.63 3.55 1.5272 -4 -2 2 61.03 5.86 1.5184 1 -5 1 61.19 11.85 1.5147 2 -3 3 61.62 4.15 1.5051 -4 3 2 61.64 2.82 1.5048 -2 -4 1 62.24 1.05 1.4915 0 -5 2 62.69 1.40 1.4820 4 -1 1 62.98 3.18 1.4758 -1 1 4 63.26 1.41 1.4701 2 -5 1 63.51 2.43 1.4649 -4 -1 4 63.69 3.01 1.4612 3 0 2 63.82 1.35 1.4584 -1 5 0 63.99 4.42 1.4549 -4 -2 1 64.04 2.18 1.4541 -2 3 3 64.42 1.36 1.4463 -2 4 2 64.60 5.26 1.4427 -5 0 2 64.76 1.73 1.4395 1 -2 4 65.14 3.20 1.4321 2 3 1 65.25 3.15 1.4299 2 0 3 65.88 6.09 1.4177 0 -4 4 65.96 1.22 1.4163 -3 4 2 66.06 2.11 1.4143 -5 2 2 66.47 1.18 1.4066 4 0 1 66.50 3.65 1.4060 2 -5 2 66.97 1.29 1.3972 -5 0 1 67.00 2.91 1.3968 0 5 0 67.03 2.48 1.3962 1 3 2 67.08 2.21 1.3952 -2 -4 4 67.55 1.07 1.3868 -1 -5 1 67.78 6.12 1.3827 -1 -5 3 68.25 3.78 1.3742 -3 5 0 68.44 2.09 1.3708 -5 -1 2 68.72 1.54 1.3659 -3 -4 2 69.12 5.17 1.3590 0 1 4 69.29 1.10 1.3560 -3 -1 5 69.33 2.61 1.3555 -4 -3 3 69.36 1.17 1.3549 -1 -2 5 69.40 1.04 1.3541 -2 5 1 69.77 1.10 1.3480 -5 3 1 69.80 6.63 1.3474 4 -4 1 70.44 2.28 1.3368 -5 2 3 70.56 3.72 1.3348 1 2 3 70.97 1.88 1.3280 -4 4 2 71.01 3.38 1.3274 -2 0 5 71.28 2.01 1.3230 -3 0 5 71.60 1.33 1.3179 -3 5 1 71.61 2.40 1.3177 3 -2 3 71.84 4.34 1.3141 -4 2 4 71.99 2.92 1.3117 0 4 2 72.32 1.14 1.3066 -5 3 0 72.51 5.40 1.3035 4 -2 2 72.73 1.03 1.3002 -3 -4 1 73.06 1.27 1.2952 0 3 3 73.09 2.14 1.2947 4 1 1 73.54 1.13 1.2879 1 5 0 73.96 4.79 1.2815 -4 -1 5 74.06 1.88 1.2802 -5 1 4 74.07 2.68 1.2799 0 -2 5 74.17 3.22 1.2785 -3 -3 5 75.09 1.17 1.2650 -5 -2 2 75.34 3.58 1.2614 1 -6 1 75.35 3.14 1.2613 0 5 1 75.85 1.19 1.2543 -4 -2 5 76.15 2.52 1.2501 0 -6 2 76.81 1.87 1.2409 -2 1 5 77.31 2.05 1.2342 2 -1 4 77.55 2.08 1.2309 -5 -2 4 78.31 1.22 1.2210 3 3 1 78.37 2.70 1.2201 1 1 4 78.69 1.88 1.2160 -2 3 4 78.78 1.56 1.2149 5 -3 1 79.77 3.01 1.2023 -5 -2 1 80.13 2.77 1.1978 -1 -6 2 80.83 1.54 1.1891 -3 -4 5 81.85 1.96 1.1769 -5 -1 5 82.26 1.42 1.1720 4 3 0 82.32 1.99 1.1713 3 -5 3 82.37 1.35 1.1707 2 2 3 82.89 1.21 1.1647 -1 3 4 83.17 1.45 1.1615 -1 -6 1 83.24 1.27 1.1608 1 5 1 83.63 2.86 1.1563 -3 -5 4 83.73 1.05 1.1552 -3 2 5 84.59 1.32 1.1456 -5 -2 5 85.00 3.24 1.1411 1 -4 5 85.39 1.39 1.1369 -2 -5 5 85.65 1.33 1.1341 0 -5 5 85.71 1.13 1.1335 -5 4 3 86.32 1.15 1.1271 4 -2 3 86.62 1.75 1.1239 4 1 2 86.66 1.96 1.1234 0 4 3 87.44 1.94 1.1154 -4 6 0 87.49 1.61 1.1149 1 -6 4 89.72 1.70 1.0929 -3 5 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.