Tamarugite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061060 Robinson P D, Fang J H American Mineralogist 54 (1969) 19-30 Crystal structures and mineral chemistry of double-salt hydrates: I. Direct determination of the crystal structure of tamarugite CELL PARAMETERS: 7.3700 25.2100 6.0980 90.000 94.823 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Na 0.61690 0.05250 0.19500 1.000 1.800 Al 0.14240 0.14540 0.67850 1.000 0.900 S 0.64270 0.18300 0.20970 1.000 1.200 S 0.70760 0.02040 0.75150 1.000 1.200 O 0.55940 0.22140 0.04240 1.000 1.900 O 0.81710 0.16210 0.13920 1.000 1.900 O 0.51590 0.13910 0.23730 1.000 2.300 O 0.68110 0.21120 0.42290 1.000 1.800 O 0.29290 0.04000 0.26120 1.000 2.000 O 0.75710 0.04210 0.53800 1.000 2.100 O 0.52080 0.03810 0.79380 1.000 1.500 O 0.83910 0.03840 0.93260 1.000 1.500 Wa 0.12320 0.18700 0.41820 1.000 1.500 Wa 0.06110 0.08810 0.49870 1.000 1.800 Wa 0.38370 0.12600 0.63650 1.000 1.500 Wa 0.90200 0.16360 0.72990 1.000 1.400 Wa 0.23580 0.20200 0.84460 1.000 1.900 Wa 0.13890 0.10000 0.93070 1.000 2.400 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 23 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 6.975745304 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.01 6.93 12.6050 0 2 0 12.55 4.29 7.0508 1 1 0 14.05 2.30 6.3025 0 4 0 16.03 11.29 5.5298 1 3 0 18.02 11.98 4.9240 0 3 1 19.48 6.64 4.5572 -1 2 1 20.05 2.87 4.4295 1 1 1 20.30 5.77 4.3744 0 4 1 20.96 39.20 4.2376 1 2 1 21.03 100.00 4.2251 -1 3 1 21.14 23.93 4.2017 0 6 0 21.38 9.51 4.1567 1 5 0 22.41 47.00 3.9667 1 3 1 23.03 2.65 3.8624 -1 4 1 24.24 6.60 3.6720 2 0 0 24.31 9.27 3.6620 1 4 1 24.41 37.79 3.6470 1 6 0 24.50 29.03 3.6336 2 1 0 25.26 1.30 3.5254 2 2 0 26.55 3.89 3.3571 1 5 1 27.30 2.97 3.2666 -2 0 1 27.53 1.13 3.2395 -2 1 1 28.13 9.07 3.1727 2 4 0 28.22 5.03 3.1622 -2 2 1 28.32 7.01 3.1512 0 8 0 29.40 8.71 3.0382 0 0 2 29.46 3.22 3.0319 2 0 1 30.11 1.42 2.9682 2 5 0 30.26 1.09 2.9536 0 2 2 30.32 3.92 2.9478 2 2 1 30.83 1.11 2.9002 -2 4 1 30.84 6.57 2.8994 -1 7 1 30.88 15.43 2.8959 1 8 0 31.10 6.05 2.8758 -1 1 2 31.31 2.02 2.8572 0 3 2 31.72 7.03 2.8213 -1 2 2 32.38 4.41 2.7649 2 6 0 32.72 5.59 2.7369 -1 3 2 32.78 3.30 2.7322 2 4 1 33.03 15.87 2.7118 1 1 2 34.46 5.84 2.6023 0 5 2 34.76 5.73 2.5812 1 8 1 35.28 7.92 2.5438 0 9 1 35.77 4.53 2.5104 -1 5 2 36.50 18.99 2.4620 0 6 2 37.16 1.10 2.4196 -2 7 1 37.49 1.26 2.3992 -2 2 2 38.30 2.78 2.3503 3 3 0 38.65 8.91 2.3298 -3 1 1 38.83 2.90 2.3194 2 7 1 39.16 10.18 2.3005 -3 2 1 39.49 2.11 2.2819 3 4 0 39.55 3.39 2.2786 -2 4 2 39.74 3.55 2.2680 -2 8 1 40.00 2.10 2.2541 -3 3 1 40.25 1.15 2.2409 2 1 2 40.50 5.31 2.2271 2 9 0 41.04 2.00 2.1993 1 10 1 41.27 6.59 2.1878 1 11 0 41.32 4.89 2.1848 2 8 1 41.53 3.70 2.1744 1 7 2 42.14 1.77 2.1444 0 11 1 42.34 1.32 2.1348 3 3 1 42.60 1.17 2.1224 -3 5 1 42.75 2.98 2.1152 3 6 0 43.06 2.08 2.1008 0 12 0 43.90 1.00 2.0623 1 8 2 43.97 3.75 2.0594 0 9 2 44.31 6.69 2.0442 -3 6 1 44.76 1.08 2.0246 3 7 0 44.82 1.60 2.0223 -2 7 2 46.10 2.61 1.9691 0 3 3 46.19 1.45 1.9654 -3 2 2 46.47 1.29 1.9542 1 9 2 46.83 3.65 1.9401 0 10 2 46.93 1.10 1.9362 -3 3 2 47.66 2.68 1.9081 2 7 2 47.71 1.41 1.9063 1 1 3 47.78 1.42 1.9036 1 12 1 47.80 2.09 1.9029 -1 4 3 47.85 1.09 1.9011 -1 10 2 48.14 4.69 1.8902 1 2 3 48.37 1.04 1.8819 3 7 1 48.56 1.36 1.8750 1 13 0 49.22 1.18 1.8514 1 10 2 49.23 1.30 1.8508 -3 5 2 49.66 1.74 1.8360 4 0 0 49.84 2.62 1.8296 0 11 2 49.84 1.08 1.8295 1 4 3 49.88 1.40 1.8283 2 11 1 50.32 3.26 1.8134 3 2 2 50.72 1.33 1.7999 -4 0 1 51.75 2.03 1.7664 -2 4 3 51.87 3.02 1.7627 4 4 0 51.96 1.51 1.7600 -4 3 1 52.13 2.57 1.7547 1 11 2 52.14 2.23 1.7541 2 9 2 52.55 1.22 1.7416 -3 7 2 52.97 1.35 1.7287 -2 5 3 53.80 3.51 1.7039 0 8 3 53.86 1.88 1.7022 4 2 1 53.93 3.73 1.7003 -1 12 2 54.00 1.13 1.6980 2 2 3 54.10 2.03 1.6951 -4 5 1 54.64 1.19 1.6796 3 6 2 54.68 3.86 1.6786 2 10 2 55.54 1.73 1.6545 -4 6 1 56.28 3.41 1.6345 1 8 3 56.46 1.79 1.6299 -4 1 2 56.60 1.79 1.6262 4 5 1 56.62 3.80 1.6256 -1 9 3 56.84 2.42 1.6198 0 15 1 57.22 3.35 1.6100 -4 7 1 58.03 1.02 1.5893 -1 15 1 58.39 2.18 1.5805 1 13 2 58.51 1.24 1.5774 -3 4 3 61.12 1.63 1.5164 0 1 4 61.73 1.65 1.5028 1 14 2 61.74 1.14 1.5025 -3 11 2 62.11 1.23 1.4945 -2 15 1 62.68 1.01 1.4822 3 10 2 63.53 2.10 1.4645 4 9 1 66.53 1.42 1.4054 1 5 4 66.76 1.06 1.4012 -4 3 3 66.93 1.06 1.3981 2 16 1 67.69 1.04 1.3842 -2 12 3 74.05 2.03 1.2802 5 8 1 75.39 1.30 1.2607 -1 18 2 76.81 1.48 1.2410 -2 15 3 81.44 1.81 1.1818 1 1 5 83.55 1.14 1.1572 -4 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.