Tadzhikite-(Y) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060641 Hawthorne F C, Cooper M A, Taylor M C The Canadian Mineralogist 36 (1998) 817-822 Refinement of the crystal structure of tadzhikite Locality: Dara-i-Pioz, Tadzhikistan CELL PARAMETERS: 19.0340 4.7250 10.3120 90.000 111.460 90.000 SPACE GROUP: P2/a ATOM X Y Z OCCUPANCY ISO(B) Si 0.10200 5.48400 7.64800 1.000 1.579 Si 0.38700 0.49600 3.83600 5.000 1.579 Ti 0.00000 0.00000 0.00000 0.560 1.737 Fe 0.00000 0.00000 0.00000 0.300 1.737 Al 0.00000 0.00000 0.00000 0.070 1.737 Mn 0.00000 0.00000 0.00000 0.040 1.737 B 0.17200 4.52300 8.45100 5.000 1.342 B 0.24600 5.45800 2.86500 1.000 1.184 Ca 0.25200 1.00100 1.34000 2.000 1.658 Ca 0.34400 3.96100 5.07000 3.430 1.579 Y 0.34400 3.96100 5.07000 3.450 1.579 Na 0.34400 3.96100 5.07000 3.120 1.579 Ce 0.03800 5.01400 7.35900 3.180 0.869 Nd 0.03800 5.01400 7.35900 3.090 0.869 La 0.03800 5.01400 7.35900 3.040 0.869 Dy 0.03800 5.01400 7.35900 3.030 0.869 Pr 0.03800 5.01400 7.35900 3.020 0.869 Gd 0.03800 5.01400 7.35900 3.020 0.869 Sm 0.03800 5.01400 7.35900 3.020 0.869 Er 0.03800 5.01400 7.35900 3.010 0.869 Ce -0.04700 5.08000 9.63600 9.030 0.869 Nd -0.04700 5.08000 9.63600 9.020 0.869 La -0.04700 5.08000 9.63600 9.010 0.869 Ce 0.03700 1.12200 5.35800 5.030 0.869 Nd 0.03700 1.12200 5.35800 5.010 0.869 La 0.03700 1.12200 5.35800 5.010 0.869 Ce 0.04700 4.02300 0.36200 8.170 0.869 Nd 0.04700 4.02300 0.36200 8.080 0.869 La 0.04700 4.02300 0.36200 8.040 0.869 Dy 0.04700 4.02300 0.36200 8.030 0.869 Pr 0.04700 4.02300 0.36200 8.020 0.869 Gd 0.04700 4.02300 0.36200 8.020 0.869 Sm 0.04700 4.02300 0.36200 8.020 0.869 Er 0.04700 4.02300 0.36200 8.010 0.869 O 0.45600 7.25200 5.43400 1.200 2.053 OH 0.45600 7.25200 5.43400 1.800 2.053 O 0.32200 6.31500 5.24300 1.000 2.132 O 0.07100 9.70000 2.73200 9.350 2.369 OH 0.07100 9.70000 2.73200 9.650 2.369 O 0.13200 9.66600 0.54100 6.800 2.053 OH 0.13200 9.66600 0.54100 6.200 2.053 O 0.46100 9.19600 4.13000 8.000 2.448 O 0.25300 7.75400 5.13900 8.000 2.132 O 0.16700 3.22800 8.44700 3.350 2.053 OH 0.16700 3.22800 8.44700 3.650 2.053 O 0.13300 0.67100 3.30900 6.650 2.369 OH 0.13300 0.67100 3.30900 6.350 2.369 O 0.31200 5.32800 6.83900 2.000 2.290 O 0.08600 4.72900 4.04300 1.000 2.132 O 0.05300 8.25700 8.15800 4.650 2.211 OH 0.05300 8.25700 8.15800 4.350 2.211 O 0.20000 5.33100 5.00000 1.000 2.290 O 0.20000 5.64900 4.00000 5.000 2.132 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 16 +/- 4 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 458519.4689 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.21 63.73 9.5971 0 0 1 9.99 100.00 8.8572 2 0 0 10.83 3.02 8.1660 -2 0 1 15.91 46.40 5.5717 2 0 1 17.50 19.84 5.0663 -2 0 2 18.75 5.44 4.7336 -4 0 1 18.78 31.55 4.7250 0 1 0 20.05 5.19 4.4286 4 0 0 20.96 18.17 4.2391 0 1 1 21.31 32.05 4.1689 2 1 0 21.73 1.18 4.0897 -2 1 1 21.77 21.98 4.0830 -4 0 2 24.11 2.65 3.6913 2 0 2 24.71 27.67 3.6037 2 1 1 25.04 16.20 3.5565 4 0 1 25.78 13.70 3.4554 -2 1 2 25.92 14.95 3.4373 -2 0 3 26.66 3.96 3.3441 -4 1 1 27.61 4.65 3.2312 4 1 0 27.79 9.63 3.2099 -4 0 3 27.89 9.71 3.1990 0 0 3 28.19 8.62 3.1661 -6 0 1 28.90 19.78 3.0894 -4 1 2 29.14 9.98 3.0642 -6 0 2 30.74 2.99 2.9089 2 1 2 31.48 16.72 2.8415 4 1 1 32.13 5.37 2.7859 4 0 2 32.20 14.86 2.7796 -2 1 3 32.90 1.64 2.7220 -6 0 3 33.07 1.94 2.7088 2 0 3 33.76 9.88 2.6552 -4 1 3 33.84 10.69 2.6490 0 1 3 34.09 9.99 2.6302 -6 1 1 34.90 10.95 2.5709 -6 1 2 34.91 3.17 2.5700 6 0 1 34.99 3.01 2.5647 -2 0 4 37.48 6.26 2.3998 4 1 2 37.48 5.32 2.3993 0 0 4 38.02 2.77 2.3668 -8 0 2 38.09 3.47 2.3625 0 2 0 38.16 1.72 2.3586 -6 1 3 38.22 5.14 2.3546 -8 0 1 38.30 2.28 2.3500 2 1 3 39.27 2.42 2.2940 0 2 1 39.48 4.21 2.2827 2 2 0 39.93 3.82 2.2576 6 1 1 40.00 3.48 2.2540 -2 1 4 40.75 1.58 2.2143 8 0 0 41.36 4.49 2.1832 6 0 2 41.52 4.80 2.1751 2 2 1 42.21 2.33 2.1411 -2 2 2 42.25 6.58 2.1393 0 1 4 42.49 3.58 2.1277 2 0 4 42.73 3.23 2.1162 -8 1 2 42.92 6.49 2.1074 -8 1 1 43.39 1.25 2.0854 -6 1 4 44.02 1.60 2.0570 -4 0 5 44.30 3.93 2.0449 -4 2 2 44.37 2.22 2.0415 -8 0 4 45.22 2.12 2.0050 8 1 0 45.78 5.48 1.9819 6 1 2 46.01 2.86 1.9724 -6 0 5 46.13 3.95 1.9679 4 2 1 46.65 3.43 1.9470 -2 2 3 46.83 4.72 1.9401 2 1 4 47.80 2.54 1.9027 -4 2 3 47.86 2.63 1.9004 0 2 3 48.05 2.52 1.8935 -6 2 1 48.25 2.06 1.8860 -4 1 5 48.58 3.04 1.8741 -8 1 4 48.67 2.82 1.8710 -6 2 2 48.74 1.86 1.8683 -10 0 1 49.38 1.35 1.8456 4 0 4 50.12 4.00 1.8202 -6 1 5 50.24 2.23 1.8160 -8 0 5 50.66 1.75 1.8018 4 2 2 51.38 1.76 1.7782 8 0 2 51.60 1.92 1.7714 10 0 0 51.73 2.22 1.7671 -10 0 4 52.33 1.41 1.7482 2 0 5 52.62 1.05 1.7393 6 2 1 52.68 1.06 1.7376 -2 2 4 52.68 2.37 1.7374 -10 1 1 52.75 1.34 1.7354 -10 1 3 52.97 1.20 1.7285 6 1 3 53.29 1.85 1.7191 4 1 4 53.30 2.11 1.7186 -4 0 6 54.10 3.08 1.6951 -8 1 5 54.32 1.19 1.6888 -6 0 6 54.43 1.38 1.6856 -2 0 6 54.51 2.02 1.6834 0 2 4 54.91 1.02 1.6721 -8 2 2 55.07 2.03 1.6677 -8 2 1 55.19 2.39 1.6643 8 1 2 55.39 2.71 1.6587 10 1 0 55.52 3.01 1.6552 -10 1 4 56.09 1.91 1.6395 2 1 5 57.02 2.97 1.6151 -4 1 6 57.48 1.87 1.6034 6 2 2 58.00 1.67 1.5902 -6 1 6 58.10 1.99 1.5876 -2 1 6 58.37 1.54 1.5810 2 2 4 58.50 1.11 1.5779 -12 0 3 58.76 1.08 1.5714 8 0 3 59.04 1.35 1.5646 4 0 5 59.88 1.08 1.5447 -8 2 4 61.22 1.41 1.5141 -6 2 5 62.01 1.64 1.4966 -12 1 3 62.26 1.54 1.4911 8 1 3 62.54 1.93 1.4853 4 1 5 63.87 1.35 1.4574 -12 1 4 64.75 1.13 1.4398 -8 2 5 65.90 1.01 1.4173 10 2 0 66.02 1.10 1.4151 -10 2 4 66.34 1.36 1.4090 12 1 0 67.38 1.11 1.3898 -4 2 6 68.23 1.30 1.3745 -2 1 7 70.47 1.01 1.3362 6 1 5 71.68 1.32 1.3167 0 1 7 72.36 1.12 1.3059 -14 1 3 72.64 1.14 1.3016 10 1 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.