Milarite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R120135 Armbruster T, Bermanec V, Wenger M, Oberhansli R European Journal of Mineralogy 1 (1989) 353-362 Crystal chemistry of double-ring silicates: Structure of natural and dehydrated milarite at 100 K Note: natural sample Locality: Val Giuf, Graubunden, Switzerland _database_code_amcsd 0006356 CELL PARAMETERS: 10.3850 10.3850 13.7979 90.000 90.000 120.000 SPACE GROUP: P6/mcc ATOM X Y Z OCCUPANCY ISO(B) K 0.00000 0.00000 0.25000 1.000 0.744 Ca 0.33333 0.66667 0.25000 1.000 1.441 Be 0.50000 0.50000 0.25000 0.770 0.290 Al 0.50000 0.50000 0.25000 0.230 0.290 Si 0.08115 0.33622 0.11286 1.000 0.432 O 0.09370 0.38310 0.00000 1.000 0.980 O 0.19510 0.27600 0.13492 1.000 0.890 O 0.11490 0.47310 0.18100 1.000 0.620 K 0.33333 0.66667 0.00000 0.070 2.400 O 0.33333 0.66667 0.04760 0.147 1.000 K 0.00000 0.00000 0.00000 0.013 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 9.416919011 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.83 4.87 8.9937 1 0 0 12.83 33.86 6.8990 0 0 2 16.19 7.33 5.4739 1 0 2 17.08 45.46 5.1925 1 1 0 19.74 23.20 4.4968 2 0 0 21.42 48.70 4.1487 1 1 2 23.62 19.88 3.7672 2 0 2 25.83 23.08 3.4495 0 0 4 27.01 100.00 3.3006 2 1 1 27.70 17.94 3.2207 1 0 4 29.29 1.72 3.0492 2 1 2 29.80 29.22 2.9979 3 0 0 31.13 73.48 2.8732 1 1 4 32.72 28.36 2.7370 2 0 4 32.76 15.60 2.7337 2 1 3 34.55 11.45 2.5963 2 2 0 36.01 8.58 2.4944 3 1 0 36.61 12.53 2.4546 3 1 1 37.00 6.64 2.4299 2 2 2 39.84 1.37 2.2628 3 0 4 41.17 5.30 2.1927 3 1 3 43.02 4.49 2.1027 1 1 6 43.63 1.76 2.0744 2 2 4 44.39 4.37 2.0406 3 2 1 44.84 11.29 2.0213 3 1 4 45.91 1.10 1.9768 3 2 2 46.26 9.63 1.9626 4 1 0 46.75 3.72 1.9430 4 1 1 48.21 12.12 1.8877 4 1 2 48.35 1.91 1.8825 3 2 3 49.24 17.49 1.8505 3 1 5 49.99 5.86 1.8246 3 0 6 50.76 10.70 1.7987 5 0 0 53.10 7.52 1.7247 0 0 8 53.21 7.74 1.7215 2 2 6 53.74 7.26 1.7058 4 1 4 53.95 1.38 1.6996 4 2 0 54.15 2.23 1.6939 1 0 8 54.39 9.60 1.6869 4 2 1 54.67 1.18 1.6788 3 3 2 57.20 3.98 1.6104 2 0 8 57.31 1.57 1.6077 4 0 6 57.63 1.44 1.5994 4 1 5 57.81 3.28 1.5949 5 0 4 57.84 1.57 1.5943 4 2 3 59.78 5.74 1.5470 3 3 4 60.26 1.08 1.5358 3 2 6 60.77 1.84 1.5241 5 1 3 62.08 6.48 1.4950 3 0 8 63.25 1.03 1.4701 4 3 1 63.51 4.03 1.4648 6 0 2 64.38 7.47 1.4472 4 2 5 64.73 11.45 1.4401 5 2 0 64.91 6.03 1.4366 2 2 8 65.12 1.71 1.4324 5 2 1 65.49 1.07 1.4253 3 2 7 66.42 1.44 1.4076 4 3 3 66.96 2.29 1.3975 2 1 9 67.33 2.21 1.3908 4 1 7 67.76 1.18 1.3829 3 3 6 68.22 5.80 1.3748 6 0 4 68.79 2.49 1.3648 6 1 1 70.64 3.01 1.3335 1 1 10 70.91 2.65 1.3290 5 2 4 72.35 10.77 1.3061 3 1 9 73.58 1.15 1.2872 4 2 7 73.74 1.92 1.2848 7 0 0 74.36 1.03 1.2757 4 4 2 76.36 1.92 1.2472 6 2 0 76.73 3.81 1.2421 6 2 1 77.76 3.71 1.2282 6 1 5 78.34 4.69 1.2206 5 2 6 78.50 1.31 1.2184 2 2 10 78.77 7.09 1.2149 4 4 4 79.11 2.35 1.2106 4 2 8 79.63 1.44 1.2040 7 0 4 79.65 4.09 1.2037 6 2 3 81.85 1.98 1.1768 2 1 11 82.19 1.09 1.1729 6 2 4 85.25 4.33 1.1384 4 2 9 85.42 1.01 1.1365 6 2 5 86.42 1.78 1.1260 7 1 4 86.74 1.17 1.1226 1 1 12 86.75 1.55 1.1225 4 3 8 88.43 8.78 1.1054 5 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.