Montebrasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040060 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 A-2 CELL PARAMETERS: 6.7105 7.7179 7.0047 91.195 117.861 91.586 SPACE GROUP: C-1 ATOM X Y Z OCCUPANCY ISO(B) P -0.01538 0.34136 0.26351 1.000 0.426 Al 0.00000 0.00000 0.00000 1.000 0.458 Al 0.00000 0.00000 0.50000 1.000 0.434 O -0.31690 0.01590 -0.15510 1.000 0.663 O 0.29800 0.05890 0.57830 1.000 0.687 O 0.10040 -0.22270 -0.38790 1.000 0.624 O 0.02580 0.23460 0.09980 1.000 0.742 Oh 0.03910 0.08710 -0.23060 0.706 0.695 F 0.03910 0.08710 -0.23060 0.294 0.695 Li 0.05000 -0.33000 0.28000 0.500 1.753 Li 0.08000 -0.31000 0.32000 0.500 1.753 H 0.19000 0.12900 0.83200 0.706 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: 5.560254250 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.31 5.04 6.1882 0 0 1 18.49 9.01 4.7982 -1 1 0 18.96 34.88 4.6817 -1 1 1 19.06 70.46 4.6562 -1 -1 1 19.27 24.25 4.6057 1 1 0 23.07 9.62 3.8547 0 2 0 26.58 3.91 3.3537 -2 0 1 26.78 51.75 3.3294 0 -2 1 27.27 41.62 3.2708 1 -1 1 27.73 46.94 3.2171 0 2 1 27.83 63.68 3.2053 -1 -1 2 28.23 100.00 3.1617 -1 1 2 28.28 28.74 3.1562 1 1 1 28.86 4.37 3.0941 0 0 2 30.15 96.51 2.9637 2 0 0 30.47 7.84 2.9337 -2 0 2 34.98 13.74 2.5649 -2 2 1 35.97 25.41 2.4967 -2 -2 1 36.54 9.18 2.4593 0 -2 2 37.49 1.62 2.3991 -2 2 0 37.55 36.42 2.3950 -1 3 0 37.98 6.33 2.3691 0 2 2 38.46 5.41 2.3409 -2 2 2 38.78 3.75 2.3221 1 3 0 39.12 6.76 2.3029 2 2 0 39.38 11.02 2.2880 2 0 1 39.88 4.88 2.2605 -2 0 3 41.03 8.93 2.1996 -1 1 3 42.51 23.99 2.1264 1 -3 1 43.06 9.01 2.1006 -3 -1 2 44.12 3.22 2.0526 -1 3 2 44.56 5.02 2.0332 1 3 1 45.12 1.70 2.0092 2 -2 1 46.37 26.70 1.9581 -2 -2 3 46.78 5.91 1.9418 -2 2 3 46.99 4.63 1.9337 -3 1 0 47.13 1.57 1.9283 2 2 1 47.16 6.82 1.9273 0 4 0 47.92 1.11 1.8983 -3 1 3 48.02 17.76 1.8947 3 1 0 50.11 2.39 1.8205 0 4 1 51.01 13.50 1.7904 0 2 3 51.73 1.70 1.7671 1 -3 2 52.35 20.65 1.7476 -2 0 4 54.03 2.84 1.6971 -1 3 3 54.42 1.32 1.6859 -3 3 2 54.74 3.46 1.6769 -4 0 2 54.81 4.32 1.6750 -1 -1 4 55.17 12.34 1.6647 0 -4 2 55.56 1.44 1.6540 -1 1 4 55.60 1.15 1.6531 -3 -3 2 55.81 6.52 1.6473 3 -1 1 55.85 1.10 1.6462 -3 -3 1 56.25 4.28 1.6354 2 -2 2 56.98 2.52 1.6162 3 1 1 57.02 15.23 1.6150 -2 4 2 57.04 1.65 1.6145 -3 -1 4 57.27 7.12 1.6085 0 4 2 57.35 8.63 1.6066 -2 -4 2 57.63 17.00 1.5994 -3 3 0 58.37 9.98 1.5808 -2 2 4 58.49 15.33 1.5781 2 2 2 59.21 1.63 1.5606 -3 3 3 59.78 2.21 1.5471 0 0 4 60.28 9.21 1.5352 3 3 0 60.84 10.24 1.5226 -4 -2 2 61.43 1.22 1.5093 2 -4 1 61.99 1.23 1.4971 -4 2 3 62.70 8.43 1.4818 4 0 0 62.79 1.20 1.4799 -4 -2 3 62.92 3.66 1.4771 -4 -2 1 63.41 10.94 1.4668 -4 0 4 63.98 2.81 1.4551 0 -2 4 64.71 8.18 1.4405 -1 -3 4 64.83 2.80 1.4382 1 -5 1 64.94 3.80 1.4359 0 -4 3 65.75 8.64 1.4203 -1 -5 2 66.65 3.85 1.4032 -4 2 0 66.75 7.23 1.4013 -1 5 2 66.76 5.61 1.4013 -1 3 4 67.29 3.57 1.3914 -3 -3 4 67.67 1.97 1.3846 -3 3 4 67.68 5.50 1.3843 3 -1 2 68.29 1.61 1.3735 -4 2 4 68.97 1.29 1.3616 3 1 2 69.05 4.09 1.3603 -3 -1 5 69.91 1.74 1.3456 2 -2 3 70.25 1.48 1.3400 1 -1 4 70.61 2.22 1.3339 2 -4 2 71.86 2.98 1.3138 1 -5 2 72.36 2.86 1.3059 2 2 3 72.43 2.04 1.3048 -2 2 5 72.82 3.37 1.2989 -1 -5 3 73.17 4.06 1.2935 -4 0 5 73.74 1.34 1.2849 0 6 0 73.80 4.95 1.2840 -3 5 1 73.90 10.73 1.2825 -4 4 2 74.56 5.36 1.2728 2 4 2 74.91 2.10 1.2676 -1 5 3 75.45 1.02 1.2600 1 5 2 75.66 3.85 1.2570 4 -2 1 76.05 5.03 1.2515 -5 -1 4 76.15 7.94 1.2501 -3 -5 2 76.27 2.93 1.2484 -4 -4 2 76.58 1.52 1.2441 -3 -5 1 77.81 1.12 1.2275 -4 -4 3 77.99 1.32 1.2252 -4 2 5 78.38 4.01 1.2200 -4 -4 1 78.60 4.37 1.2171 1 -3 4 78.83 3.17 1.2142 -3 5 3 79.40 2.74 1.2068 -1 -3 5 81.21 1.83 1.1846 0 4 4 82.03 4.61 1.1747 1 3 4 82.22 2.90 1.1725 1 -5 3 82.22 2.55 1.1725 3 -1 3 82.29 1.45 1.1716 -5 -3 3 82.80 2.48 1.1657 2 0 4 82.82 2.73 1.1655 0 2 5 82.98 1.20 1.1637 -5 3 1 83.21 1.71 1.1611 2 6 0 84.57 5.83 1.1458 -5 3 4 86.02 1.55 1.1301 2 -2 4 86.78 1.47 1.1222 1 5 3 88.27 1.18 1.1071 1 -1 5 89.13 1.86 1.0986 2 6 1 89.59 1.44 1.0942 -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.