Hilairite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080098 Ilyushin G D, Voronkov A A, Nevskii N N, Ilyukhin V V, Belov N V Doklady Akademii Nauk SSSR 260 (1981) 1118-1120 Crystal structure of hilairite, Na2ZrSi3O9*3H2O CELL PARAMETERS: 10.5610 10.5610 15.9020 90.000 90.000 120.000 SPACE GROUP: R32 ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.00000 0.19700 0.800 7.900 Na 0.38880 0.00000 0.50000 0.678 2.600 Zr 0.00000 0.00000 0.00000 1.000 1.190 Zr 0.00000 0.00000 0.50000 1.000 1.000 Si 0.41740 0.41280 0.24860 1.000 0.720 O 0.09210 0.18460 0.07680 1.000 1.190 O 0.09890 0.19020 0.57200 1.000 1.180 O 0.65390 0.00000 0.00000 1.000 1.190 O 0.64340 0.00000 0.50000 1.000 1.220 Wa 0.50000 0.14600 0.06300 1.000 3.630 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 17.34186958 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.76 100.00 6.0006 0 1 2 16.73 1.21 5.3007 0 0 3 16.79 61.07 5.2805 1 1 0 24.41 16.64 3.6460 1 0 4 28.15 89.89 3.1702 1 2 2 29.29 34.71 3.0487 3 0 0 29.78 75.52 3.0003 0 2 4 33.82 1.21 2.6503 0 0 6 33.92 2.74 2.6428 0 3 3 33.95 14.18 2.6402 2 2 0 34.38 14.77 2.6086 2 1 4 35.85 2.20 2.5050 1 3 1 37.21 7.60 2.4167 3 1 2 37.99 10.77 2.3687 1 1 6 38.08 2.39 2.3633 2 2 3 38.46 2.17 2.3405 1 2 5 41.08 5.70 2.1975 0 4 2 42.26 13.86 2.1384 1 3 4 44.67 11.91 2.0288 2 3 2 45.34 18.05 2.0002 0 3 6 45.34 13.31 2.0002 3 0 6 45.44 3.99 1.9958 4 1 0 45.75 1.95 1.9831 3 1 5 47.92 1.07 1.8985 2 1 7 48.68 8.91 1.8705 2 2 6 49.09 12.20 1.8557 3 2 4 50.03 9.62 1.8230 2 0 8 51.95 9.93 1.7602 3 3 0 53.15 4.83 1.7232 1 2 8 54.31 7.47 1.6890 4 2 2 55.28 19.03 1.6618 0 5 4 57.27 2.97 1.6087 1 5 2 57.83 3.88 1.5943 4 1 6 57.83 6.41 1.5943 1 4 6 58.20 2.00 1.5851 2 4 4 58.95 2.60 1.5667 1 0 10 59.04 3.28 1.5646 3 1 8 60.76 2.34 1.5243 6 0 0 61.03 4.28 1.5182 5 1 4 62.91 5.22 1.4774 3 4 2 63.44 5.95 1.4663 3 3 6 63.52 11.12 1.4645 5 2 0 64.50 7.29 1.4447 2 1 10 64.58 4.88 1.4430 2 3 8 66.48 1.61 1.4064 4 3 4 68.27 3.18 1.3738 6 1 2 69.80 2.30 1.3473 1 3 10 69.88 6.81 1.3460 5 0 8 71.15 2.97 1.3252 0 0 12 71.38 2.26 1.3214 0 6 6 71.38 3.09 1.3214 6 0 6 72.39 2.37 1.3055 4 0 10 73.44 3.38 1.2893 5 3 2 73.71 1.29 1.2853 1 1 12 74.93 1.60 1.2674 3 2 10 75.01 1.09 1.2663 1 5 8 75.98 3.37 1.2525 2 6 2 76.79 2.25 1.2413 3 5 4 76.79 4.64 1.2413 7 0 4 78.74 1.06 1.2153 0 3 12 78.74 2.09 1.2153 3 0 12 79.29 1.50 1.2083 6 2 4 81.45 1.99 1.1817 4 4 6 82.41 2.18 1.1703 2 4 10 84.87 1.72 1.1425 5 1 10 85.88 1.41 1.1316 8 0 2 86.30 1.43 1.1272 0 1 14 88.81 1.69 1.1018 1 7 6 88.81 2.48 1.1018 7 1 6 89.83 1.33 1.0918 5 3 8 89.83 2.78 1.0918 0 7 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.