Mellite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern R070574. Robl C, Kuhs W F Journal of Solid State Chemistry 92 (1991) 101-109 A neutron diffraction study on hydrogen bonding in the mineral mellite (Al2[C6(COO)6]*16H2O) at 15 K Sample: T = 15 K Locality: Tatabanya, Hungary CELL PARAMETERS: 15.54946 15.54946 23.20113 90.00000 90.00000 90.00000 ALTERNATE SETTING FOR SPACE GROUP: I4_1/acd X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 11.10 100.00 7.9802 1 1 2 11.39 12.20 7.7747 2 0 0 15.28 55.93 5.8003 0 0 4 16.13 23.39 5.4976 2 2 0 17.15 40.16 5.1709 2 1 3 19.61 3.33 4.5273 3 1 2 20.95 86.62 4.2400 3 2 1 22.28 22.20 3.9901 2 2 4 23.04 9.40 3.8598 2 1 5 23.72 2.30 3.7508 3 1 4 23.90 8.47 3.7224 4 1 1 24.14 27.58 3.6859 4 0 2 25.48 11.60 3.4948 3 3 2 25.62 3.83 3.4770 4 2 0 25.73 34.55 3.4623 2 0 6 26.29 42.15 3.3897 4 1 3 27.62 1.12 3.2292 4 0 4 28.96 7.31 3.0823 4 3 1 29.86 19.98 2.9920 2 1 7 29.96 23.85 2.9822 4 2 4 30.30 2.18 2.9493 5 1 2 30.82 28.64 2.9001 0 0 8 30.99 1.50 2.8853 4 3 3 32.65 12.16 2.7415 4 0 6 33.18 3.63 2.6992 5 1 4 34.50 8.97 2.5989 5 3 2 34.68 5.15 2.5855 4 2 6 34.71 25.27 2.5834 4 3 5 36.06 1.92 2.4896 4 1 7 36.53 3.67 2.4586 6 2 0 37.09 5.40 2.4229 5 3 4 37.38 19.10 2.4052 6 2 2 38.72 1.27 2.3245 4 0 8 38.85 5.94 2.3169 5 4 3 39.04 12.00 2.3065 6 3 1 39.73 7.63 2.2679 4 3 7 39.81 1.04 2.2636 6 2 4 40.26 1.07 2.2390 6 1 5 40.49 2.72 2.2271 4 2 8 40.62 3.77 2.2204 6 3 3 40.76 8.06 2.2127 3 2 9 41.10 1.78 2.1953 5 3 6 41.46 7.99 2.1772 5 2 7 41.79 2.14 2.1606 5 5 2 42.48 2.49 2.1269 7 2 1 42.46 2.12 2.1282 4 1 9 42.63 2.19 2.1200 6 4 2 43.02 1.90 2.1015 5 1 8 43.09 13.47 2.0983 3 1 10 43.63 1.45 2.0736 6 3 5 44.75 4.14 2.0242 6 1 7 46.23 1.42 1.9630 5 3 8 46.29 4.44 1.9603 3 3 10 47.00 4.56 1.9324 6 0 8 46.97 5.70 1.9334 0 0 12 47.17 3.34 1.9259 7 3 4 47.27 17.31 1.9220 8 1 1 47.40 12.77 1.9170 8 0 2 47.54 1.43 1.9115 5 5 6 47.99 1.67 1.8947 3 2 11 48.49 1.05 1.8763 2 0 12 48.91 2.54 1.8612 8 2 2 49.43 1.15 1.8430 8 0 4 49.81 2.98 1.8296 6 5 5 50.24 1.26 1.8152 6 1 9 50.83 2.73 1.7954 7 2 7 51.12 2.04 1.7860 7 5 2 51.27 2.46 1.7810 8 1 5 52.33 2.26 1.7474 6 6 4 52.68 6.62 1.7366 8 0 6 52.86 3.09 1.7311 4 0 12 52.94 1.00 1.7287 2 1 13 53.25 1.23 1.7193 8 4 2 53.80 3.48 1.7032 5 2 11 54.08 1.32 1.6949 8 2 6 54.10 1.22 1.6943 8 3 5 54.34 4.16 1.6874 6 2 10 55.06 2.65 1.6670 8 1 7 55.76 1.07 1.6478 7 6 3 55.71 1.90 1.6491 3 2 13 56.31 1.56 1.6329 5 1 12 56.54 1.12 1.6269 6 1 11 56.69 1.83 1.6229 9 3 2 56.77 3.17 1.6208 2 0 14 57.73 1.17 1.5960 7 1 10 58.39 1.24 1.5795 6 4 10 58.81 1.09 1.5694 9 1 6 59.41 1.25 1.5549 8 6 0 59.65 1.19 1.5492 6 6 8 59.88 1.69 1.5438 10 1 1 60.72 2.65 1.5245 4 0 14 61.78 1.05 1.5008 7 2 11 62.06 1.28 1.4947 9 4 5 62.28 2.13 1.4899 8 0 10 64.72 1.22 1.4395 6 4 12 68.42 1.31 1.3704 8 6 8 68.82 1.33 1.3634 5 2 15 69.60 1.55 1.3499 8 2 12 72.05 1.21 1.3099 8 1 13 72.61 1.40 1.3012 3 2 17 74.44 1.84 1.2737 9 8 3 74.40 1.53 1.2742 8 3 13 75.07 2.62 1.2646 12 0 4 75.35 1.43 1.2605 10 6 6 76.53 1.06 1.2440 9 8 5 77.26 1.25 1.2341 11 3 8 77.26 1.34 1.2341 9 7 8 79.62 1.03 1.2033 6 4 16 80.68 1.50 1.1902 9 5 12 81.45 1.11 1.1809 11 4 9 83.37 1.08 1.1584 10 8 6 83.71 1.06 1.1546 9 8 9 89.22 1.01 1.0970 10 5 13 89.22 1.01 1.0970 10 5 13 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.