Tinsleyite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070706 Dick S Zeitschrift fur Naturforschung B54 (1999) 1385-1390 Uber die struktur von synthetischem tinsleyit K[Al2(PO4)2(OH)(H2O)]*(H2O) Locality: synthetic CELL PARAMETERS: 9.5310 9.5150 9.5650 90.000 103.020 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) K 0.51880 0.19600 0.89770 1.000 2.211 Al 0.39080 0.54530 0.37090 1.000 0.869 Al 0.60190 0.22520 0.31050 1.000 0.790 P 0.79510 0.02610 0.14810 1.000 0.790 P 0.79100 0.18510 0.63330 1.000 0.790 O 0.94720 0.08810 0.20300 1.000 1.026 O 0.67890 0.11850 0.18520 1.000 1.026 O 0.75990 0.01100 -0.01790 1.000 0.869 O 0.71240 0.38120 0.28390 1.000 0.869 O 0.94650 0.23400 0.66240 1.000 1.263 O 0.78350 0.03980 0.70540 1.000 1.026 O 0.69720 0.28640 0.69470 1.000 1.105 O 0.73850 0.16730 0.47170 1.000 1.184 OH 0.49940 0.36380 0.44320 1.000 0.869 Wa 0.49300 0.06130 0.34980 1.000 1.895 Wa 0.30710 0.14880 0.53400 1.000 2.132 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 3.916158847 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.84 14.77 7.4733 -1 0 1 13.30 100.00 6.6578 0 1 1 13.32 26.13 6.6457 1 1 0 14.91 22.77 5.9424 1 0 1 15.07 83.72 5.8772 -1 1 1 17.60 2.54 5.0402 1 1 1 18.65 3.99 4.7575 0 2 0 19.05 21.70 4.6595 0 0 2 19.12 23.91 4.6430 2 0 0 20.97 1.63 4.2373 0 2 1 20.98 22.54 4.2341 1 2 0 21.23 1.81 4.1847 0 1 2 21.29 8.63 4.1727 2 1 0 21.45 34.10 4.1420 -1 1 2 21.50 9.08 4.1333 -2 1 1 22.15 17.13 4.0133 -1 2 1 23.81 12.33 3.7367 -2 0 2 23.96 71.19 3.7139 1 2 1 25.05 7.13 3.5553 1 1 2 25.09 1.84 3.5497 2 1 1 25.61 28.72 3.4781 -2 1 2 26.83 16.50 3.3228 2 2 0 26.96 20.72 3.3073 -1 2 2 27.00 2.06 3.3028 -2 2 1 28.26 6.36 3.1581 -3 0 1 29.72 51.04 3.0062 -1 1 3 29.76 19.27 3.0025 0 3 1 29.77 11.32 3.0014 1 3 0 29.81 13.41 2.9973 -3 1 1 29.94 33.21 2.9847 1 2 2 29.97 24.96 2.9815 2 2 1 30.08 6.92 2.9712 2 0 2 30.27 9.40 2.9530 0 1 3 30.37 21.31 2.9435 3 1 0 30.42 11.37 2.9386 -2 2 2 30.62 14.46 2.9196 -1 3 1 31.54 80.22 2.8362 2 1 2 32.25 14.09 2.7754 -2 1 3 32.31 39.65 2.7710 -3 1 2 32.39 5.08 2.7645 1 0 3 32.47 4.38 2.7576 3 0 1 33.76 3.29 2.6547 1 1 3 33.84 1.31 2.6486 3 1 1 34.00 17.10 2.6372 -1 2 3 34.08 15.77 2.6311 -3 2 1 34.20 6.04 2.6219 0 3 2 34.24 1.08 2.6189 2 3 0 34.37 88.81 2.6091 -2 3 1 34.48 9.26 2.6010 0 2 3 35.63 10.16 2.5201 2 2 2 36.05 6.22 2.4911 -3 0 3 36.26 1.30 2.4772 -2 2 3 36.81 26.63 2.4417 2 3 1 37.18 1.44 2.4181 -2 3 2 37.63 6.04 2.3902 1 2 3 37.71 1.05 2.3858 3 2 1 37.82 1.75 2.3788 0 4 0 38.65 8.90 2.3298 0 0 4 38.79 23.22 2.3215 4 0 0 38.84 19.56 2.3184 -1 1 4 39.08 18.98 2.3048 0 4 1 39.16 2.25 2.3004 -2 0 4 39.27 4.95 2.2944 -4 0 2 39.56 1.38 2.2779 3 1 2 39.84 7.30 2.2629 0 1 4 39.98 1.15 2.2553 4 1 0 40.23 10.05 2.2416 -1 3 3 40.30 1.69 2.2379 -3 3 1 40.44 11.74 2.2305 -4 1 2 40.73 3.47 2.2152 3 3 0 40.86 7.02 2.2084 1 4 1 42.21 1.16 2.1408 -2 3 3 42.31 11.36 2.1360 -1 2 4 42.68 2.23 2.1186 0 4 2 42.82 7.14 2.1119 -2 4 1 42.94 7.42 2.1061 2 2 3 42.98 3.33 2.1042 3 2 2 43.17 11.22 2.0956 1 1 4 43.81 2.24 2.0666 -4 2 2 44.10 1.61 2.0534 -3 1 4 44.16 4.53 2.0509 -4 1 3 44.87 2.33 2.0201 2 4 1 45.19 1.94 2.0066 -2 4 2 45.81 2.88 1.9808 3 0 3 46.35 16.70 1.9591 -3 3 3 46.49 7.92 1.9534 4 2 1 47.31 5.31 1.9214 -4 2 3 47.44 6.05 1.9164 2 0 4 47.64 1.49 1.9090 -1 3 4 47.75 2.58 1.9047 -4 3 1 47.81 1.87 1.9023 -1 4 3 47.87 3.44 1.9000 -3 4 1 48.18 16.48 1.8886 0 4 3 48.25 4.29 1.8861 3 4 0 48.85 1.73 1.8643 1 5 0 48.91 1.63 1.8622 -2 3 4 49.00 6.56 1.8590 -4 3 2 49.35 1.26 1.8467 -2 1 5 49.50 2.91 1.8413 -5 1 2 49.73 1.01 1.8333 -4 1 4 51.31 5.47 1.7805 -5 0 3 51.48 4.35 1.7753 4 3 1 51.49 10.49 1.7749 4 2 2 51.90 1.61 1.7617 0 5 2 52.02 3.94 1.7578 -2 5 1 52.16 2.33 1.7536 -3 1 5 52.19 4.97 1.7528 1 0 5 52.24 13.88 1.7511 -4 3 3 52.41 1.46 1.7458 -5 2 2 52.75 3.40 1.7354 0 2 5 52.92 2.42 1.7300 5 2 0 53.13 1.78 1.7238 1 1 5 53.24 7.88 1.7204 -3 4 3 54.63 2.11 1.6801 3 3 3 54.96 1.81 1.6706 -3 2 5 55.07 5.33 1.6675 -5 2 3 55.18 3.31 1.6644 0 4 4 55.28 10.73 1.6617 3 1 4 55.58 1.86 1.6536 -2 4 4 55.90 12.72 1.6447 1 2 5 56.07 4.44 1.6403 5 2 1 56.32 5.50 1.6334 -5 3 1 56.45 8.49 1.6299 -3 5 1 56.79 6.82 1.6211 3 5 0 56.84 2.79 1.6199 -5 1 4 56.88 3.73 1.6188 -2 3 5 57.23 1.92 1.6098 -4 3 4 57.83 3.13 1.5944 1 4 4 57.93 4.20 1.5919 4 4 1 57.95 1.37 1.5913 -2 5 3 57.98 1.62 1.5906 3 2 4 57.99 2.21 1.5905 -3 5 2 58.24 3.86 1.5842 -2 0 6 58.45 4.42 1.5790 -6 0 2 58.64 2.98 1.5744 -4 4 3 59.06 2.07 1.5640 -6 1 1 59.09 1.26 1.5634 0 6 1 59.10 3.40 1.5632 1 6 0 59.43 2.50 1.5552 -4 2 5 59.44 6.73 1.5550 -3 3 5 59.52 3.51 1.5532 0 0 6 60.33 2.14 1.5341 1 3 5 60.49 6.20 1.5305 5 3 1 60.62 1.48 1.5276 6 1 0 61.22 4.21 1.5141 -3 1 6 61.80 4.35 1.5013 0 6 2 61.82 4.93 1.5007 2 6 0 61.89 7.86 1.4993 -1 6 2 61.92 1.86 1.4986 -6 2 2 62.21 1.08 1.4924 2 4 4 62.29 2.19 1.4905 -1 4 5 62.88 1.67 1.4779 3 5 2 63.10 2.00 1.4734 -5 4 2 63.36 5.58 1.4678 4 1 4 63.40 4.86 1.4671 0 4 5 63.44 2.57 1.4663 -2 5 4 63.48 9.30 1.4654 1 6 2 65.13 1.35 1.4323 5 3 2 65.15 2.32 1.4318 -6 1 4 65.38 1.50 1.4273 -3 4 5 65.64 1.67 1.4224 -1 3 6 65.86 5.32 1.4182 -6 3 1 65.86 5.20 1.4181 4 2 4 66.18 2.94 1.4120 1 2 6 66.22 1.09 1.4114 3 6 0 66.38 1.02 1.4083 5 4 1 67.14 4.44 1.3941 3 2 5 67.50 1.08 1.3877 -4 2 6 67.62 2.07 1.3855 -6 2 4 67.99 3.95 1.3788 6 0 2 68.12 1.98 1.3764 3 4 4 68.17 1.31 1.3756 1 6 3 68.36 1.82 1.3723 3 5 3 69.65 1.07 1.3499 -2 1 7 69.77 2.11 1.3479 -1 1 7 69.85 1.01 1.3465 -5 5 1 70.06 3.03 1.3431 -7 1 1 70.34 1.71 1.3383 -2 5 5 70.48 1.06 1.3361 -6 1 5 70.76 1.49 1.3316 0 5 5 70.90 1.33 1.3291 5 5 0 71.15 1.22 1.3251 1 7 1 71.47 1.93 1.3201 -4 6 1 71.51 4.63 1.3193 -6 4 1 71.85 2.69 1.3139 7 1 0 72.13 1.66 1.3095 4 6 0 72.16 2.38 1.3091 -1 2 7 72.43 1.21 1.3049 0 7 2 72.44 3.56 1.3047 -7 2 1 72.45 2.82 1.3046 -4 6 2 72.64 3.20 1.3016 -3 5 5 72.79 1.84 1.2992 -5 2 6 72.92 1.06 1.2973 6 4 0 73.58 1.42 1.2873 -3 2 7 73.63 1.09 1.2866 -6 4 3 74.24 3.84 1.2774 -2 7 2 74.40 1.05 1.2751 -4 1 7 74.59 2.02 1.2723 -7 1 4 75.01 3.24 1.2662 -3 6 4 75.26 2.30 1.2627 3 5 4 75.95 4.54 1.2528 -2 3 7 76.55 1.09 1.2446 3 7 0 76.76 1.36 1.2417 -6 3 5 77.17 1.09 1.2361 2 7 2 77.25 3.48 1.2350 -6 1 6 77.49 1.12 1.2318 6 2 3 77.58 1.85 1.2305 7 2 1 77.69 1.65 1.2291 -7 3 3 77.81 4.07 1.2275 0 3 7 78.32 4.35 1.2208 -1 5 6 78.74 1.44 1.2154 4 3 5 78.75 1.35 1.2152 -6 5 2 79.05 1.11 1.2113 -5 6 2 79.89 1.61 1.2007 6 5 0 80.21 2.87 1.1967 7 1 2 80.58 1.11 1.1922 -6 5 3 80.67 1.08 1.1910 -8 0 2 80.75 1.09 1.1901 -7 3 4 81.43 3.34 1.1818 -8 1 2 81.44 1.12 1.1817 -5 2 7 82.05 1.35 1.1745 -5 4 6 82.18 3.34 1.1730 4 7 0 82.76 2.00 1.1662 1 8 1 83.15 1.08 1.1617 0 4 7 83.53 1.30 1.1574 3 5 5 84.31 1.27 1.1487 1 7 4 84.49 1.07 1.1467 -3 2 8 85.87 1.20 1.1318 -4 4 7 86.21 1.40 1.1282 5 6 2 86.61 2.46 1.1240 6 4 3 87.10 1.07 1.1189 -6 6 2 87.15 2.57 1.1184 -2 3 8 87.95 2.93 1.1102 3 8 0 88.85 2.07 1.1014 -5 5 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.