Montebrasite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060890 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: 6.6990 7.7190 6.9780 90.960 117.770 91.400 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: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 7 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 5.616204485 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.35 6.88 6.1712 0 0 1 18.55 7.96 4.7828 -1 1 0 18.99 30.81 4.6735 -1 1 1 19.10 71.37 4.6473 -1 -1 1 19.22 20.55 4.6173 1 1 0 23.06 9.05 3.8564 0 2 0 26.62 5.38 3.3481 -2 0 1 26.87 50.47 3.3181 0 -2 1 27.37 45.70 3.2588 1 -1 1 27.66 47.29 3.2246 0 2 1 27.96 61.23 3.1909 -1 -1 2 28.22 28.99 3.1619 1 1 1 28.27 100.00 3.1564 -1 1 2 28.94 3.73 3.0856 0 0 2 30.17 90.77 2.9618 2 0 0 30.57 7.14 2.9244 -2 0 2 35.07 13.16 2.5587 -2 2 1 35.94 24.86 2.4988 -2 -2 1 36.72 8.87 2.4476 0 -2 2 37.61 1.33 2.3914 -2 2 0 37.63 37.24 2.3904 -1 3 0 37.92 7.12 2.3728 0 2 2 38.53 5.98 2.3367 -2 2 2 38.68 3.46 2.3276 1 3 0 38.75 1.03 2.3237 -2 -2 2 39.01 8.25 2.3087 2 2 0 39.41 11.57 2.2863 2 0 1 40.04 6.14 2.2521 -2 0 3 41.11 10.64 2.1954 -1 1 3 42.68 23.78 2.1187 1 -3 1 43.13 10.08 2.0975 -3 -1 2 44.09 4.18 2.0541 -1 3 2 44.42 4.29 2.0397 1 3 1 45.30 1.24 2.0020 2 -2 1 46.55 26.62 1.9508 -2 -2 3 46.86 4.48 1.9387 -2 2 3 47.01 1.78 1.9331 2 2 1 47.09 4.10 1.9298 -3 1 0 47.13 6.89 1.9282 0 4 0 47.98 16.69 1.8963 3 1 0 48.07 1.35 1.8928 -3 1 3 50.00 2.09 1.8240 0 4 1 50.98 13.71 1.7915 0 2 3 51.98 1.59 1.7593 1 -3 2 52.57 18.75 1.7410 -2 0 4 54.00 3.51 1.6981 -1 3 3 54.55 1.17 1.6823 -3 3 2 54.84 3.96 1.6741 -4 0 2 55.07 3.96 1.6676 -1 -1 4 55.38 12.02 1.6591 0 -4 2 55.60 1.05 1.6529 -3 -3 2 55.69 1.32 1.6505 -1 1 4 55.93 7.32 1.6439 3 -1 1 56.47 4.34 1.6294 2 -2 2 56.93 2.89 1.6174 3 1 1 57.06 15.55 1.6141 -2 4 2 57.13 7.19 1.6123 0 4 2 57.28 2.09 1.6084 -3 -1 4 57.39 8.99 1.6055 -2 -4 2 57.84 17.39 1.5943 -3 3 0 58.37 16.50 1.5809 2 2 2 58.48 10.23 1.5782 -2 2 4 59.32 2.02 1.5578 -3 3 3 59.96 1.96 1.5428 0 0 4 60.12 9.39 1.5391 3 3 0 60.85 11.36 1.5224 -4 -2 2 61.57 1.04 1.5062 -1 5 0 61.68 1.41 1.5039 2 -4 1 62.17 1.11 1.4932 -4 2 3 62.74 7.55 1.4809 4 0 0 62.86 3.36 1.4785 -4 -2 1 63.64 10.03 1.4622 -4 0 4 64.32 3.10 1.4484 0 -2 4 65.01 2.77 1.4346 1 -5 1 65.06 7.76 1.4336 -1 -3 4 65.26 4.19 1.4297 0 -4 3 65.87 8.73 1.4180 -1 -5 2 66.67 7.16 1.4029 -1 5 2 66.74 4.88 1.4016 -1 3 4 66.84 4.02 1.3996 -4 2 0 67.54 3.62 1.3868 -3 -3 4 67.79 1.75 1.3824 -3 3 4 67.84 5.67 1.3814 3 -1 2 68.50 1.97 1.3699 -4 2 4 68.94 1.52 1.3622 3 1 2 69.38 4.06 1.3546 -3 -1 5 70.20 1.64 1.3407 2 -2 3 70.51 1.43 1.3356 1 -1 4 70.95 2.05 1.3284 2 -4 2 71.46 1.14 1.3202 -5 1 2 72.16 2.94 1.3091 1 -5 2 72.22 1.06 1.3081 -5 -1 2 72.27 2.91 1.3073 2 2 3 72.58 2.16 1.3025 -2 2 5 73.08 3.17 1.2948 -1 -5 3 73.47 5.13 1.2889 -4 0 5 73.70 1.42 1.2855 0 6 0 73.98 4.94 1.2812 -3 5 1 74.11 10.93 1.2794 -4 4 2 74.29 5.39 1.2767 2 4 2 74.79 2.33 1.2694 -1 5 3 75.89 3.74 1.2538 4 -2 1 76.10 8.17 1.2508 -3 -5 2 76.20 2.72 1.2494 -4 -4 2 76.27 4.99 1.2485 -5 -1 4 76.41 1.47 1.2464 -3 -5 1 77.87 1.29 1.2268 -4 -4 3 78.20 4.60 1.2223 -4 -4 1 78.24 1.23 1.2219 -4 2 5 78.91 3.10 1.2131 -3 5 3 79.03 4.53 1.2116 1 -3 4 79.17 1.00 1.2098 -2 6 1 79.53 1.04 1.2053 3 3 2 79.87 2.92 1.2009 -1 -3 5 81.05 2.03 1.1864 0 4 4 81.91 4.12 1.1762 1 3 4 82.34 1.46 1.1711 -5 -3 3 82.44 3.10 1.1700 3 -1 3 82.65 2.93 1.1675 1 -5 3 82.88 3.01 1.1648 0 2 5 82.97 1.89 1.1638 2 6 0 82.97 1.96 1.1638 2 0 4 83.26 1.40 1.1605 -5 3 1 84.83 5.95 1.1429 -5 3 4 86.40 1.39 1.1262 2 -2 4 86.48 1.43 1.1253 1 5 3 88.62 1.39 1.1036 1 -1 5 88.73 1.09 1.1025 2 2 4 88.80 2.17 1.1019 2 6 1 89.90 1.36 1.0912 -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.