Montebrasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040006 Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S American Mineralogist 75 (1990) 992-1008 The amblygonite-montebrasite series: Characterization by single-crystal structure refinement, infrared spectroscopy and multinuclear MAS-NMR spectroscopy sample AF-47 CELL PARAMETERS: 6.6974 7.7199 6.9758 90.945 117.764 91.406 SPACE GROUP: C-1 ATOM X Y Z OCCUPANCY ISO(B) P -0.01605 0.34212 0.26653 1.000 0.324 Al 0.00000 0.00000 0.00000 1.000 0.379 Al 0.00000 0.00000 0.50000 1.000 0.363 O -0.31720 0.01540 -0.15920 1.000 0.521 O 0.29810 0.05810 0.57430 1.000 0.513 O 0.10130 -0.22340 -0.38970 1.000 0.497 O 0.02650 0.23620 0.10350 1.000 0.600 Oh 0.04710 0.08900 -0.22650 1.000 0.466 Li 0.06960 -0.32020 0.31010 1.000 1.358 H 0.18300 0.12900 0.84800 1.000 0.790 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 7 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 5.618100259 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.36 6.88 6.1696 0 0 1 18.55 7.97 4.7824 -1 1 0 18.99 30.82 4.6732 -1 1 1 19.10 71.36 4.6462 -1 -1 1 19.22 20.55 4.6170 1 1 0 23.06 9.06 3.8569 0 2 0 26.63 5.38 3.3473 -2 0 1 26.87 50.48 3.3178 0 -2 1 27.37 45.69 3.2582 1 -1 1 27.66 47.32 3.2250 0 2 1 27.97 61.20 3.1898 -1 -1 2 28.23 29.00 3.1617 1 1 1 28.28 100.00 3.1560 -1 1 2 28.94 3.72 3.0848 0 0 2 30.18 90.76 2.9612 2 0 0 30.58 7.14 2.9235 -2 0 2 35.07 13.17 2.5586 -2 2 1 35.94 24.86 2.4984 -2 -2 1 36.73 8.87 2.4470 0 -2 2 37.62 1.33 2.3912 -2 2 0 37.63 37.26 2.3906 -1 3 0 37.92 7.12 2.3728 0 2 2 38.53 5.98 2.3366 -2 2 2 38.68 3.46 2.3278 1 3 0 38.76 1.03 2.3231 -2 -2 2 39.02 8.26 2.3085 2 2 0 39.42 11.57 2.2859 2 0 1 40.05 6.14 2.2513 -2 0 3 41.12 10.64 2.1950 -1 1 3 42.68 23.79 2.1185 1 -3 1 43.14 10.07 2.0969 -3 -1 2 44.08 4.18 2.0543 -1 3 2 44.41 4.29 2.0398 1 3 1 45.30 1.24 2.0017 2 -2 1 46.57 26.60 1.9502 -2 -2 3 46.87 4.48 1.9385 -2 2 3 47.01 1.78 1.9330 2 2 1 47.10 4.10 1.9295 -3 1 0 47.13 6.89 1.9284 0 4 0 47.98 16.69 1.8960 3 1 0 48.08 1.35 1.8923 -3 1 3 50.00 2.09 1.8243 0 4 1 50.98 13.71 1.7914 0 2 3 51.99 1.59 1.7591 1 -3 2 52.58 18.74 1.7404 -2 0 4 54.00 3.51 1.6982 -1 3 3 54.55 1.17 1.6823 -3 3 2 54.85 3.96 1.6737 -4 0 2 55.09 3.96 1.6671 -1 -1 4 55.38 12.02 1.6589 0 -4 2 55.61 1.05 1.6526 -3 -3 2 55.70 1.32 1.6501 -1 1 4 55.94 7.32 1.6436 3 -1 1 56.49 4.34 1.6291 2 -2 2 56.94 2.89 1.6172 3 1 1 57.05 15.57 1.6142 -2 4 2 57.12 7.20 1.6125 0 4 2 57.30 2.09 1.6078 -3 -1 4 57.40 8.99 1.6053 -2 -4 2 57.84 17.39 1.5941 -3 3 0 58.37 16.50 1.5808 2 2 2 58.49 10.22 1.5780 -2 2 4 59.33 2.02 1.5577 -3 3 3 59.98 1.96 1.5424 0 0 4 60.12 9.39 1.5390 3 3 0 60.86 11.36 1.5220 -4 -2 2 61.56 1.05 1.5064 -1 5 0 61.68 1.41 1.5038 2 -4 1 62.18 1.11 1.4929 -4 2 3 62.76 7.55 1.4806 4 0 0 62.87 3.36 1.4782 -4 -2 1 63.66 10.02 1.4617 -4 0 4 64.34 3.10 1.4480 0 -2 4 65.01 2.77 1.4346 1 -5 1 65.08 7.76 1.4332 -1 -3 4 65.28 4.18 1.4294 0 -4 3 65.87 8.73 1.4179 -1 -5 2 66.66 7.17 1.4031 -1 5 2 66.74 4.88 1.4015 -1 3 4 66.86 4.02 1.3994 -4 2 0 67.57 3.62 1.3864 -3 -3 4 67.80 1.75 1.3823 -3 3 4 67.86 5.67 1.3811 3 -1 2 68.51 1.97 1.3696 -4 2 4 68.95 1.52 1.3620 3 1 2 69.41 4.05 1.3541 -3 -1 5 70.22 1.64 1.3404 2 -2 3 70.53 1.43 1.3353 1 -1 4 70.96 2.05 1.3283 2 -4 2 71.48 1.14 1.3199 -5 1 2 72.16 2.94 1.3090 1 -5 2 72.24 1.06 1.3078 -5 -1 2 72.28 2.91 1.3072 2 2 3 72.59 2.16 1.3023 -2 2 5 73.09 3.17 1.2947 -1 -5 3 73.50 5.13 1.2885 -4 0 5 73.69 1.43 1.2856 0 6 0 73.98 4.94 1.2813 -3 5 1 74.11 10.93 1.2793 -4 4 2 74.29 5.39 1.2767 2 4 2 74.78 2.33 1.2695 -1 5 3 75.90 3.74 1.2536 4 -2 1 76.11 8.17 1.2507 -3 -5 2 76.21 2.72 1.2492 -4 -4 2 76.29 4.98 1.2481 -5 -1 4 76.42 1.47 1.2464 -3 -5 1 77.88 1.29 1.2265 -4 -4 3 78.21 4.60 1.2222 -4 -4 1 78.26 1.23 1.2216 -4 2 5 78.90 3.10 1.2132 -3 5 3 79.05 4.52 1.2113 1 -3 4 79.16 1.00 1.2099 -2 6 1 79.53 1.04 1.2052 3 3 2 79.90 2.92 1.2006 -1 -3 5 81.05 2.03 1.1864 0 4 4 81.91 4.12 1.1761 1 3 4 82.36 1.46 1.1708 -5 -3 3 82.46 3.10 1.1697 3 -1 3 82.66 2.93 1.1674 1 -5 3 82.90 3.01 1.1646 0 2 5 82.96 1.89 1.1639 2 6 0 82.99 1.96 1.1636 2 0 4 83.27 1.40 1.1604 -5 3 1 84.85 5.94 1.1428 -5 3 4 86.43 1.39 1.1259 2 -2 4 86.47 1.44 1.1254 1 5 3 88.65 1.39 1.1033 1 -1 5 88.74 1.09 1.1024 2 2 4 88.79 2.17 1.1020 2 6 1 89.92 1.36 1.0910 -5 3 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.