Dumortierite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050628 Alexander V D, Griffen D T, Martin T J American Mineralogist 71 (1986) 786-794 Crystal chemistry of some Fe- and Ti-poor dumortierites Sample: #2, BYU 12-5027, from Yuma Co., Arizona, USA CELL PARAMETERS: 11.7840 20.1670 4.6950 90.000 90.000 90.000 SPACE GROUP: Pmcn ATOM X Y Z OCCUPANCY ISO(B) Si 0.75000 0.40530 0.08770 1.000 0.492 Si 0.52400 0.32810 0.58760 0.990 0.484 Al 0.75000 0.25020 0.39810 0.930 2.698 Al 0.61030 0.47220 0.55730 0.980 0.337 Al 0.49130 0.43070 0.05950 0.970 0.290 Al 0.35810 0.28930 0.05780 0.990 0.529 B 0.25000 0.41590 0.22840 1.000 0.411 O 0.75000 0.45370 0.37880 1.000 0.871 O 0.75000 0.32580 0.14880 1.000 1.098 O 0.63900 0.42420 0.89670 1.000 0.769 O 0.43640 0.28240 0.40140 1.000 0.792 O 0.54960 0.39330 0.39720 1.000 0.700 O 0.45370 0.35040 0.88460 1.000 0.779 O 0.63960 0.28680 0.64790 1.000 0.984 O 0.25000 0.35000 0.16850 1.000 0.926 O 0.35070 0.44820 0.25530 1.000 0.755 O 0.25000 0.27230 0.76030 1.000 0.666 O 0.46630 0.48810 0.75050 1.000 0.463 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 18 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 3.503091023 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.69 13.58 10.1744 1 1 0 8.77 1.78 10.0835 0 2 0 15.04 60.47 5.8920 2 0 0 15.17 100.00 5.8390 1 3 0 17.43 51.50 5.0872 2 2 0 17.59 32.31 5.0417 0 4 0 19.41 1.86 4.5727 0 1 1 20.84 30.62 4.2630 1 1 1 20.87 16.37 4.2562 0 2 1 22.21 11.89 4.0031 1 2 1 23.07 14.94 3.8555 3 1 0 23.11 7.51 3.8492 0 3 1 23.22 12.68 3.8307 2 4 0 23.31 12.67 3.8161 1 5 0 24.64 7.34 3.6124 2 1 1 25.82 61.15 3.4502 2 2 1 25.93 35.01 3.4359 0 4 1 26.28 15.99 3.3915 3 3 0 26.52 5.08 3.3612 0 6 0 27.03 24.34 3.2986 1 4 1 27.68 95.51 3.2225 2 3 1 29.19 51.96 3.0594 0 5 1 29.99 6.88 2.9796 3 1 1 30.11 3.58 2.9681 2 4 1 30.18 4.60 2.9613 1 5 1 30.34 16.84 2.9460 4 0 0 30.62 40.19 2.9195 2 6 0 30.98 68.89 2.8866 3 2 1 31.80 3.21 2.8140 3 5 0 32.57 1.41 2.7492 3 3 1 32.99 13.56 2.7152 2 5 1 33.66 37.54 2.6623 1 6 1 35.29 35.29 2.5436 4 4 0 35.61 15.04 2.5209 0 8 0 36.27 21.59 2.4765 4 1 1 36.59 19.91 2.4555 0 7 1 37.11 9.68 2.4223 4 2 1 37.25 15.62 2.4137 3 5 1 37.41 13.22 2.4039 1 7 1 38.34 9.09 2.3475 0 0 2 38.46 2.23 2.3409 5 1 0 38.48 25.91 2.3394 4 3 1 38.61 6.36 2.3318 0 1 2 38.76 1.30 2.3231 3 7 0 38.86 1.92 2.3177 2 8 0 39.41 1.28 2.2864 0 2 2 39.77 1.25 2.2666 2 7 1 40.33 13.60 2.2365 4 4 1 40.62 7.73 2.2210 0 8 1 41.37 6.15 2.1826 1 8 1 41.40 11.01 2.1808 2 0 2 41.46 22.07 2.1781 1 3 2 41.66 1.35 2.1681 2 1 2 42.41 1.28 2.1315 2 2 2 42.60 6.93 2.1221 4 5 1 43.18 43.55 2.0949 5 1 1 43.46 37.91 2.0822 3 7 1 43.55 43.18 2.0782 2 8 1 43.91 5.73 2.0618 5 2 1 44.99 6.71 2.0151 3 0 2 45.11 1.58 2.0100 5 3 1 45.22 5.62 2.0051 3 1 2 45.31 4.17 2.0016 2 4 2 45.36 7.64 1.9995 1 5 2 45.93 4.61 1.9760 3 2 2 46.74 9.53 1.9435 5 4 1 47.00 1.69 1.9333 3 8 1 47.08 7.07 1.9302 3 3 2 47.23 1.31 1.9246 0 6 2 47.39 12.78 1.9183 2 5 2 47.54 7.24 1.9127 2 9 1 47.89 6.68 1.8994 1 6 2 48.66 13.99 1.8712 3 4 2 48.77 1.09 1.8671 5 5 1 49.17 1.13 1.8530 0 10 1 49.81 16.80 1.8305 1 10 1 49.85 1.31 1.8295 2 6 2 50.13 15.93 1.8199 0 7 2 50.58 6.85 1.8046 6 1 1 51.18 17.51 1.7848 5 6 1 51.23 3.32 1.7833 6 2 1 51.53 2.63 1.7735 4 8 1 51.61 24.09 1.7711 4 3 2 51.71 2.43 1.7676 2 10 1 52.29 8.89 1.7494 6 3 1 52.64 8.64 1.7388 2 7 2 52.98 9.67 1.7283 3 6 2 53.09 10.50 1.7251 4 4 2 53.33 2.95 1.7180 0 8 2 53.76 2.97 1.7051 6 4 1 53.92 3.43 1.7003 5 7 1 54.28 2.55 1.6901 1 11 1 54.95 7.26 1.6710 4 5 2 55.19 3.02 1.6641 4 10 0 55.23 3.16 1.6632 5 0 2 55.43 7.53 1.6576 5 1 2 55.66 9.33 1.6512 3 7 2 55.73 9.00 1.6493 2 8 2 56.04 4.67 1.6410 5 2 2 56.07 7.42 1.6403 2 11 1 56.34 2.99 1.6330 7 3 0 56.68 2.20 1.6239 5 9 0 56.80 3.44 1.6209 0 9 2 56.97 14.81 1.6164 5 8 1 56.98 1.43 1.6161 2 12 0 57.04 5.05 1.6145 5 3 2 57.17 4.96 1.6112 4 6 2 57.38 3.65 1.6058 1 9 2 57.81 1.31 1.5949 6 6 1 58.43 2.28 1.5795 5 4 2 58.88 1.02 1.5685 4 10 1 59.01 8.09 1.5654 7 2 1 59.50 10.43 1.5535 7 5 0 59.68 10.25 1.5493 6 8 0 59.98 2.42 1.5424 7 3 1 60.16 12.33 1.5380 1 13 0 60.31 2.33 1.5347 5 9 1 60.35 10.48 1.5338 6 7 1 60.59 2.18 1.5281 2 12 1 61.09 1.66 1.5170 1 10 2 61.32 1.66 1.5117 7 4 1 61.76 7.12 1.5022 6 1 2 61.93 3.45 1.4983 3 9 2 62.28 2.24 1.4907 5 6 2 62.32 2.86 1.4898 6 2 2 62.59 4.65 1.4841 4 8 2 62.75 3.35 1.4806 2 10 2 63.12 13.34 1.4730 8 0 0 63.12 7.83 1.4730 0 13 1 63.27 3.99 1.4699 6 3 2 63.37 7.25 1.4677 3 12 1 63.76 23.09 1.4598 4 12 0 63.91 11.94 1.4567 5 10 1 64.23 10.10 1.4501 3 1 3 64.30 11.67 1.4488 2 4 3 64.34 11.57 1.4480 1 5 3 64.59 1.48 1.4429 3 13 0 65.07 4.82 1.4333 7 6 1 65.30 1.72 1.4290 2 13 1 65.48 9.63 1.4254 3 10 2 65.76 10.80 1.4201 4 9 2 66.08 1.07 1.4139 8 4 0 66.23 1.44 1.4111 6 5 2 66.64 7.94 1.4033 2 11 2 66.71 1.58 1.4021 8 1 1 67.45 3.97 1.3885 7 7 1 67.46 3.70 1.3883 5 8 2 68.08 2.63 1.3771 0 14 1 68.16 1.71 1.3757 8 3 1 68.19 4.11 1.3752 0 7 3 68.53 2.72 1.3693 4 2 3 68.62 3.48 1.3677 3 5 3 69.20 2.32 1.3576 4 10 2 69.32 6.30 1.3556 7 2 2 69.43 5.21 1.3538 4 3 3 69.70 1.59 1.3491 8 6 0 69.89 2.20 1.3459 7 9 0 70.15 1.48 1.3416 7 8 1 70.18 1.64 1.3410 2 14 1 70.58 1.20 1.3344 3 6 3 70.67 31.82 1.3329 4 4 3 70.87 15.07 1.3296 0 8 3 71.02 3.29 1.3272 8 5 1 72.26 1.43 1.3075 4 5 3 72.77 2.06 1.2996 3 14 1 72.88 1.75 1.2980 3 7 3 72.92 13.71 1.2973 4 11 2 72.94 2.38 1.2970 2 8 3 73.02 1.26 1.2958 5 13 0 73.03 2.36 1.2955 7 5 2 73.13 1.03 1.2941 4 14 0 73.15 1.30 1.2938 7 9 1 73.20 1.99 1.2931 6 8 2 73.23 8.35 1.2925 0 15 1 73.48 3.28 1.2887 6 11 1 73.63 2.63 1.2865 1 13 2 73.74 1.10 1.2848 1 15 1 74.19 1.73 1.2782 4 6 3 74.37 1.45 1.2755 1 9 3 74.63 3.09 1.2718 8 8 0 74.95 2.18 1.2671 7 6 2 75.22 10.25 1.2632 8 7 1 75.27 9.52 1.2625 2 15 1 75.41 1.92 1.2604 0 16 0 76.05 2.80 1.2515 9 2 1 76.32 1.50 1.2477 8 0 2 76.44 9.25 1.2460 7 10 1 76.49 7.90 1.2453 8 1 2 76.84 2.38 1.2405 5 5 3 76.91 2.13 1.2396 4 12 2 76.91 1.14 1.2396 9 3 1 77.01 1.08 1.2383 8 2 2 77.46 1.02 1.2322 6 12 1 77.49 1.46 1.2318 5 11 2 77.68 2.19 1.2292 3 13 2 78.11 5.71 1.2235 9 4 1 78.25 1.08 1.2217 6 1 3 80.70 1.06 1.1906 8 9 1 81.17 1.98 1.1849 4 13 2 81.52 3.41 1.1808 9 6 1 81.72 3.49 1.1784 10 0 0 82.11 1.21 1.1738 0 0 4 82.28 1.25 1.1718 0 1 4 82.40 2.83 1.1704 10 2 0 82.62 5.62 1.1678 5 15 0 82.78 2.16 1.1660 1 1 4 82.79 1.52 1.1659 0 2 4 83.16 2.73 1.1616 6 14 0 83.28 2.69 1.1602 1 2 4 83.40 1.85 1.1588 4 16 0 83.71 1.49 1.1554 9 7 1 83.92 1.23 1.1531 8 10 1 84.69 2.78 1.1445 2 15 2 84.76 1.15 1.1437 2 2 4 84.81 1.11 1.1432 0 4 4 85.84 3.05 1.1321 7 10 2 86.33 2.21 1.1269 5 9 3 86.81 1.69 1.1219 1 5 4 87.47 1.27 1.1152 9 4 2 88.42 1.40 1.1056 1 16 2 89.02 1.32 1.0997 10 5 1 89.08 1.38 1.0991 9 9 1 89.23 1.48 1.0976 3 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.