Natrosilite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060855 Pant A K Acta Crystallographica B24 (1968) 1077-1083 A reconsideration of the crystal structure of beta-Na2Si2O5 CELL PARAMETERS: 12.3360 4.8490 8.1180 90.000 104.400 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Na 0.44362 0.75331 0.37932 1.000 1.061 Na 0.47262 0.22518 0.13722 1.000 1.030 Si 0.18240 0.18422 0.02770 1.000 0.448 Si 0.27681 0.29480 0.40291 1.000 0.449 O 0.21462 -0.14126 0.01551 1.000 0.804 O 0.26717 0.62025 0.45371 1.000 0.785 O 0.18097 0.24614 0.22574 1.000 0.812 O 0.40078 0.23205 0.39106 1.000 0.410 O 0.06384 0.24500 -0.09331 1.000 0.805 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 4 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 5.311183003 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.25 5.98 7.8630 0 0 1 14.83 66.39 5.9742 2 0 0 16.25 7.91 5.4551 -2 0 1 19.76 1.44 4.4931 1 1 0 20.79 26.88 4.2725 2 0 1 21.53 59.40 4.1273 0 1 1 22.62 73.19 3.9315 0 0 2 23.63 21.12 3.7649 2 1 0 23.71 2.32 3.7529 1 1 1 24.56 84.65 3.6242 -2 1 1 28.74 16.14 3.1062 -1 1 2 29.01 16.78 3.0777 3 1 0 29.22 37.78 3.0561 -4 0 1 29.91 23.52 2.9871 4 0 0 30.16 56.03 2.9631 2 0 2 30.18 18.91 2.9608 -2 1 2 31.61 1.72 2.8305 1 1 2 33.24 6.17 2.6956 3 1 1 33.35 18.49 2.6870 -3 1 2 33.75 44.68 2.6554 -2 0 3 34.21 5.67 2.6210 0 0 3 34.68 13.22 2.5870 4 0 1 34.70 21.41 2.5854 -4 1 1 35.50 17.95 2.5284 2 1 2 37.08 100.00 2.4245 0 2 0 38.66 8.82 2.3290 -2 1 3 39.48 5.24 2.2825 4 1 1 39.71 8.97 2.2697 -4 0 3 40.73 1.78 2.2155 -2 2 1 40.89 1.65 2.2067 2 0 3 41.48 1.62 2.1771 1 1 3 42.16 6.07 2.1435 5 1 0 42.31 10.54 2.1363 4 0 2 42.89 5.37 2.1087 2 2 1 43.34 7.97 2.0879 -5 1 2 43.52 1.58 2.0796 -1 2 2 43.74 2.41 2.0697 -3 2 1 43.87 2.64 2.0636 0 2 2 44.04 2.57 2.0560 -6 0 1 44.54 1.93 2.0342 -2 2 2 44.81 7.28 2.0226 -2 0 4 46.18 3.76 1.9657 0 0 4 46.45 2.86 1.9550 4 1 2 47.89 10.56 1.8994 -4 2 1 48.07 5.28 1.8929 -6 1 1 48.35 2.47 1.8825 4 2 0 48.52 6.22 1.8764 2 2 2 48.71 5.10 1.8694 -4 0 4 48.79 4.79 1.8667 -2 1 4 48.80 4.94 1.8662 -1 1 4 49.58 6.50 1.8385 -6 1 2 49.85 2.29 1.8294 3 1 3 49.96 18.46 1.8254 6 0 1 50.03 3.49 1.8232 -3 1 4 50.07 2.46 1.8217 0 1 4 50.17 6.79 1.8184 -6 0 3 50.36 1.30 1.8121 -4 2 2 51.01 17.89 1.7905 -2 2 3 51.34 1.49 1.7798 0 2 3 51.67 8.83 1.7690 4 2 1 52.46 5.32 1.7442 -4 1 4 52.50 13.37 1.7430 2 0 4 52.67 2.63 1.7379 -3 2 3 53.00 1.46 1.7279 -5 2 1 53.65 1.07 1.7084 6 1 1 55.41 2.22 1.6582 4 1 3 55.45 4.55 1.6570 -4 2 3 55.98 1.21 1.6428 -5 1 4 56.38 1.50 1.6320 2 2 3 56.78 1.71 1.6214 6 0 2 57.06 9.01 1.6140 -6 0 4 57.22 1.65 1.6101 7 1 0 57.50 1.37 1.6028 4 2 2 58.28 2.18 1.5832 0 3 1 58.71 6.78 1.5726 0 0 5 59.27 3.95 1.5591 -5 2 3 59.52 2.97 1.5531 -2 2 4 59.66 4.31 1.5497 -2 3 1 60.18 4.14 1.5377 6 1 2 60.60 5.38 1.5280 -8 0 2 60.65 6.19 1.5269 0 2 4 61.71 1.61 1.5031 5 1 3 61.81 4.84 1.5009 -1 3 2 61.96 5.89 1.4977 3 3 0 62.15 2.82 1.4936 8 0 0 62.52 1.14 1.4856 -4 1 5 62.61 3.10 1.4836 -2 3 2 62.76 3.16 1.4804 -4 2 4 62.83 1.12 1.4791 1 2 4 63.40 2.99 1.4670 -8 1 1 63.83 9.27 1.4583 6 2 1 63.87 3.50 1.4574 -8 1 2 64.00 6.19 1.4547 -6 2 3 64.41 3.43 1.4466 3 3 1 64.47 6.78 1.4453 -3 3 2 64.97 7.20 1.4354 2 0 5 65.31 3.90 1.4288 -4 3 1 65.38 2.41 1.4274 8 1 0 65.50 2.37 1.4250 -7 2 1 65.55 1.64 1.4242 6 0 3 65.82 2.31 1.4190 2 3 2 65.92 5.41 1.4169 4 1 4 66.01 5.08 1.4152 2 2 4 66.57 2.06 1.4047 8 0 1 67.89 2.47 1.3807 -2 3 3 68.69 1.05 1.3665 6 1 3 68.84 1.11 1.3638 -8 0 4 70.03 5.32 1.3435 -6 2 4 70.31 3.48 1.3388 5 3 0 70.99 1.51 1.3277 -4 0 6 71.16 4.35 1.3250 -5 3 2 71.51 3.94 1.3194 0 2 5 72.57 5.21 1.3027 -2 1 6 73.22 3.50 1.2927 -8 2 2 74.55 1.27 1.2728 -5 2 5 74.64 2.64 1.2716 8 2 0 75.27 3.68 1.2625 -1 3 4 75.88 1.11 1.2538 -6 3 2 76.09 2.18 1.2510 3 3 3 76.23 1.91 1.2490 -3 3 4 76.27 1.24 1.2485 0 3 4 76.43 2.16 1.2463 -6 0 6 77.24 4.82 1.2352 2 2 5 78.98 1.51 1.2122 0 4 0 78.98 1.14 1.2122 6 1 4 79.18 11.14 1.2096 -8 1 5 79.31 1.38 1.2081 -6 3 3 80.22 2.21 1.1966 -1 4 1 80.76 3.10 1.1900 -10 1 1 80.92 1.61 1.1880 2 4 0 80.95 1.26 1.1877 1 4 1 81.46 2.85 1.1815 2 1 6 81.77 1.72 1.1778 8 0 3 82.12 1.40 1.1736 7 3 0 82.38 2.66 1.1706 -10 1 3 83.29 7.31 1.1601 10 1 0 83.60 1.40 1.1566 -10 0 4 83.91 1.09 1.1531 -2 4 2 84.69 4.36 1.1445 8 1 3 85.11 1.15 1.1399 10 0 1 85.19 1.03 1.1390 -3 3 5 85.52 1.33 1.1355 3 4 1 86.02 2.43 1.1302 5 3 3 86.43 2.15 1.1258 -2 1 7 87.52 2.66 1.1146 -8 3 1 88.14 1.22 1.1084 -6 2 6 88.71 1.05 1.1028 -2 4 3 88.71 1.23 1.1027 -6 0 7 89.22 1.18 1.0977 4 4 1 89.80 1.76 1.0922 4 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.