Brazilianite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050126 Gatehouse B M, Miskin B K Acta Crystallographica B30 (1974) 1311-1317 The crystal structure of brazilianite, NaAl3(PO4)2(OH)4 Locality: Corrego Frio pegmatite, Minas Gerais, Brazil CELL PARAMETERS: 11.2340 10.1495 7.1098 90.000 97.308 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) P 0.18040 0.31220 0.23750 1.000 0.280 P 0.31240 0.32790 0.75380 1.000 0.272 Al 0.04320 0.22040 0.56140 1.000 0.384 Al 0.26300 0.06730 0.50820 1.000 0.373 Al 0.45940 0.25450 0.43280 1.000 0.357 Na 0.30360 0.07510 0.03500 1.000 1.787 O 0.10350 0.07940 0.44980 1.000 0.530 O 0.42380 0.10100 0.56200 1.000 0.560 O 0.00300 0.34960 0.72430 1.000 0.540 O 0.49740 0.38600 0.26980 1.000 0.550 O 0.11450 0.23920 0.06640 1.000 0.660 O 0.28780 0.22190 0.31870 1.000 0.530 O 0.22600 0.21350 0.68110 1.000 0.550 O 0.38780 0.28060 0.93480 1.000 0.620 O 0.10000 0.34030 0.39350 1.000 0.610 O 0.39170 0.36730 0.60140 1.000 0.610 O 0.22590 0.44680 0.18220 1.000 0.690 O 0.23550 0.44870 0.79070 1.000 0.610 H 0.06200 0.00300 0.37200 1.000 1.000 H 0.46400 0.09800 0.68000 1.000 1.000 H 0.07300 0.40800 0.74800 1.000 1.000 H 0.04600 0.05800 0.84000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 9 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 5.944371214 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.30 38.85 5.7913 0 1 1 15.91 20.68 5.5714 2 0 0 16.50 15.40 5.3735 -1 1 1 17.48 100.00 5.0747 0 2 0 17.98 12.73 4.9322 1 1 1 19.22 6.69 4.6183 1 2 0 20.94 3.02 4.2426 -2 1 1 23.28 20.95 3.8206 2 1 1 23.72 22.63 3.7517 2 2 0 25.54 7.19 3.4880 3 1 0 25.65 1.04 3.4735 -3 0 1 27.13 24.01 3.2864 -3 1 1 27.88 3.97 3.2004 2 2 1 28.18 11.82 3.1671 -2 0 2 29.90 84.78 2.9879 3 1 1 29.94 1.53 2.9842 -1 3 1 30.88 2.35 2.8957 0 2 2 30.92 2.22 2.8918 2 3 0 31.09 49.76 2.8767 -1 2 2 31.71 7.58 2.8217 2 0 2 32.13 8.11 2.7857 4 0 0 32.68 23.91 2.7398 -2 3 1 32.76 36.20 2.7339 1 2 2 32.95 1.40 2.7186 2 1 2 33.35 81.92 2.6868 -2 2 2 34.28 15.79 2.6156 2 3 1 36.31 16.20 2.4740 1 4 0 36.43 1.80 2.4661 2 2 2 36.81 1.97 2.4420 4 2 0 36.82 1.89 2.4412 0 3 2 37.00 3.35 2.4298 -1 3 2 37.10 3.22 2.4236 -3 3 1 37.25 12.34 2.4138 4 1 1 37.33 2.15 2.4089 -3 2 2 37.61 1.90 2.3915 -4 2 1 38.56 6.13 2.3351 -4 0 2 39.24 2.23 2.2961 3 3 1 40.20 1.27 2.2431 1 0 3 40.70 1.75 2.2169 -2 1 3 41.49 5.35 2.1767 5 1 0 41.50 3.30 2.1761 3 2 2 41.68 1.11 2.1669 2 3 2 41.80 3.32 2.1611 2 4 1 41.89 4.36 2.1568 -5 1 1 42.48 2.29 2.1278 -3 3 2 42.74 4.59 2.1158 -4 3 1 43.91 1.90 2.0620 4 0 2 43.96 2.67 2.0595 0 4 2 44.12 10.40 2.0527 -1 4 2 44.40 4.57 2.0405 5 2 0 44.60 3.66 2.0314 2 1 3 45.09 21.47 2.0107 5 1 1 45.28 7.05 2.0028 4 3 1 45.82 33.69 1.9802 -2 4 2 46.92 25.25 1.9364 -1 3 3 47.60 1.35 1.9103 4 2 2 48.39 1.27 1.8811 3 0 3 48.90 2.43 1.8626 -5 2 2 48.93 3.65 1.8617 -2 5 1 48.95 2.94 1.8608 -3 4 2 49.18 1.67 1.8527 -4 4 1 49.30 2.85 1.8486 -5 3 1 49.98 1.26 1.8247 -6 1 1 50.09 3.86 1.8212 2 5 1 51.71 2.17 1.7678 2 3 3 51.86 5.33 1.7630 0 0 4 51.93 1.19 1.7607 4 3 2 52.05 1.85 1.7572 5 1 2 52.12 3.55 1.7549 -1 5 2 52.19 1.40 1.7526 -3 5 1 52.41 3.27 1.7460 -2 0 4 52.47 1.97 1.7440 6 2 0 53.23 1.36 1.7209 1 5 2 53.32 3.55 1.7182 -4 4 2 53.36 4.70 1.7170 6 1 1 53.72 5.29 1.7063 -5 1 3 53.85 3.49 1.7025 3 5 1 54.22 2.52 1.6916 0 6 0 54.83 2.40 1.6744 5 4 0 54.97 5.63 1.6705 -4 3 3 55.67 2.70 1.6510 -2 2 4 55.79 1.05 1.6478 2 5 2 55.93 8.63 1.6441 3 3 3 56.29 1.18 1.6343 -1 6 1 56.58 2.24 1.6265 -6 3 1 58.27 7.94 1.5835 -4 0 4 58.71 2.03 1.5726 7 1 0 58.73 2.01 1.5721 4 5 1 58.74 3.06 1.5719 -5 4 2 59.10 8.64 1.5632 6 0 2 59.84 1.49 1.5455 2 2 4 59.86 1.11 1.5451 -6 3 2 60.04 1.83 1.5410 -5 3 3 60.43 1.07 1.5320 -4 5 2 60.73 11.62 1.5252 0 6 2 60.85 1.22 1.5224 -1 6 2 61.20 4.87 1.5144 4 3 3 61.33 1.63 1.5116 -4 2 4 61.56 8.28 1.5065 5 1 3 61.62 2.88 1.5051 1 5 3 61.85 2.00 1.5000 1 6 2 61.97 1.35 1.4975 -6 4 1 62.13 1.10 1.4941 -5 5 1 62.13 3.40 1.4939 6 2 2 63.58 4.05 1.4633 -3 5 3 63.77 2.16 1.4595 5 4 2 63.97 8.21 1.4553 -1 4 4 64.19 1.15 1.4508 2 6 2 64.53 13.40 1.4442 -7 3 1 64.59 4.17 1.4429 5 5 1 64.79 1.18 1.4389 -3 6 2 64.82 2.07 1.4383 -2 4 4 65.08 2.23 1.4332 -6 4 2 65.75 3.53 1.4202 0 7 1 65.92 1.00 1.4170 1 4 4 66.07 1.21 1.4142 -6 3 3 66.59 1.05 1.4043 1 7 1 66.86 1.64 1.3993 -3 4 4 66.98 1.25 1.3972 -2 1 5 66.99 1.02 1.3970 0 1 5 67.08 2.29 1.3953 -4 5 3 67.35 1.55 1.3903 -7 1 3 67.90 2.37 1.3804 7 3 1 67.94 2.38 1.3798 3 5 3 68.53 2.84 1.3693 -6 5 1 68.66 1.98 1.3670 2 4 4 68.75 10.09 1.3655 -3 1 5 69.10 3.39 1.3593 4 2 4 69.61 1.95 1.3507 3 7 0 70.05 1.23 1.3432 8 2 0 70.30 1.01 1.3391 -1 7 2 70.36 1.53 1.3380 -3 7 1 71.39 2.08 1.3213 -6 2 4 71.65 1.01 1.3171 -5 5 3 71.69 1.51 1.3165 2 1 5 72.27 8.10 1.3074 -7 4 2 72.50 1.06 1.3037 3 4 4 72.72 3.99 1.3004 4 5 3 72.98 2.86 1.2964 -7 3 3 74.32 1.54 1.2762 -3 3 5 75.41 2.81 1.2605 1 8 0 75.56 1.08 1.2584 -8 3 2 75.70 1.56 1.2564 3 1 5 75.79 2.33 1.2551 -7 5 1 76.12 1.98 1.2506 6 6 0 76.99 1.16 1.2385 6 5 2 77.10 5.65 1.2370 2 8 0 77.15 2.32 1.2364 -4 3 5 77.40 3.26 1.2330 4 4 4 77.87 3.62 1.2267 -7 2 4 78.65 1.62 1.2165 7 4 2 78.74 1.18 1.2153 5 7 0 80.75 1.02 1.1901 4 1 5 81.11 1.13 1.1857 9 1 1 81.25 3.40 1.1840 5 7 1 81.98 1.32 1.1753 0 0 6 82.46 1.03 1.1696 7 3 3 83.86 3.38 1.1537 -1 2 6 84.16 5.30 1.1504 -9 1 3 84.34 2.95 1.1484 3 7 3 84.64 2.52 1.1450 0 2 6 86.84 1.42 1.1216 2 0 6 87.54 2.05 1.1145 6 7 1 87.71 1.23 1.1127 9 4 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.