Melanophlogite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060863 Gies H Zeitschrift fur Kristallographie 164 (1983) 247-257 Studies on clathrasils. III. Crystal structure of melanophlogite, a natural clathrate compound of silica CELL PARAMETERS: 13.4120 13.4120 13.4120 90.000 90.000 90.000 SPACE GROUP: Pm3n ATOM X Y Z OCCUPANCY ISO(B) N 0.25000 0.50000 0.00000 0.780 39.373 C 0.25000 0.50000 0.00000 0.220 39.373 C 0.00000 0.00000 0.00000 1.000 13.738 Si 0.00000 0.30980 0.11420 1.000 1.711 Si 0.18260 0.18260 0.18260 1.000 1.721 Si 0.25000 0.00000 0.50000 1.000 1.429 O 0.09630 0.24650 0.13600 1.000 4.882 O 0.00000 0.40560 0.18130 1.000 4.780 O 0.34230 0.00000 0.00000 1.000 2.761 O 0.25000 0.25000 0.25000 1.000 5.811 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 12 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 11.71660009 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.33 8.93 9.4837 1 1 0 13.20 15.34 6.7060 2 0 0 14.77 100.00 5.9980 2 1 0 16.19 76.40 5.4754 2 1 1 20.95 2.98 4.2412 3 1 0 22.97 36.55 3.8717 2 2 2 23.92 22.71 3.7198 3 2 0 24.84 91.65 3.5845 3 2 1 26.58 2.34 3.3530 4 0 0 27.42 24.95 3.2529 4 1 0 28.23 1.03 3.1612 4 1 1 28.23 15.65 3.1612 3 3 0 30.54 12.83 2.9267 4 2 1 31.28 4.68 2.8594 3 3 2 32.71 2.00 2.7377 4 2 2 33.40 2.37 2.6824 4 3 0 34.09 1.19 2.6303 5 1 0 36.06 9.73 2.4905 4 3 2 37.95 1.52 2.3709 4 4 0 39.16 7.87 2.3001 5 3 0 39.16 3.25 2.3001 4 3 3 39.76 2.31 2.2670 5 3 1 40.35 3.80 2.2353 6 0 0 40.93 1.03 2.2049 6 1 0 41.50 4.47 2.1757 5 3 2 43.74 3.78 2.0695 5 4 1 45.36 2.33 1.9993 5 4 2 45.89 2.85 1.9775 6 3 1 46.94 2.97 1.9359 4 4 4 47.96 1.90 1.8967 5 5 0 49.97 2.35 1.8251 6 3 3 53.35 2.88 1.7172 6 4 3 53.35 3.62 1.7172 6 5 0 53.82 1.86 1.7033 6 5 1 55.22 1.27 1.6636 6 5 2 55.68 1.66 1.6509 5 5 4 55.68 1.90 1.6509 8 1 1 57.49 3.14 1.6030 6 5 3 58.38 1.08 1.5806 6 6 0 58.38 3.27 1.5806 8 2 2 58.83 1.17 1.5698 8 3 0 59.27 1.50 1.5591 8 3 1 59.27 1.26 1.5591 7 4 3 60.15 1.14 1.5385 6 6 2 64.42 2.26 1.4463 6 5 5 65.26 1.25 1.4297 6 6 4 65.68 1.16 1.4217 8 5 0 66.09 1.89 1.4137 9 3 0 66.09 3.61 1.4137 8 5 1 68.55 1.26 1.3689 8 4 4 69.36 2.71 1.3548 8 5 3 70.17 1.22 1.3412 10 0 0 70.57 1.76 1.3345 9 4 2 71.77 1.90 1.3152 8 6 2 72.57 1.32 1.3027 9 5 0 79.98 2.96 1.1996 8 6 5 80.36 2.21 1.1948 9 6 3 82.66 1.48 1.1674 8 8 2 83.42 2.00 1.1586 11 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.