Allanite-(La) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070246 Orlandi P, Pasero M The Canadian Mineralogist 44 (2006) 63-68 Allanite-(La) from Buca della Vena mine, Apuan Alps, Italy, an epidote-group mineral Locality: Buca della Vena mine, near Stazzema, Apuan Alps, Tuscany, Italy CELL PARAMETERS: 8.9310 5.7078 10.1860 90.000 115.153 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.75900 0.75000 0.15183 1.000 1.026 Ca 0.59437 0.75000 0.42901 0.311 0.937 La 0.59437 0.75000 0.42901 0.274 0.937 Ce 0.59437 0.75000 0.42901 0.196 0.937 Nd 0.59437 0.75000 0.42901 0.111 0.937 Pr 0.59437 0.75000 0.42901 0.101 0.937 Th 0.59437 0.75000 0.42901 0.006 0.937 Y 0.59437 0.75000 0.42901 0.001 0.937 Al 0.00000 0.00000 0.00000 0.871 0.655 Fe 0.00000 0.00000 0.00000 0.129 0.655 Al 0.00000 0.00000 0.50000 1.000 0.679 Fe 0.29816 0.25000 0.21552 0.621 0.853 Fe 0.29816 0.25000 0.21552 0.259 0.853 Mg 0.29816 0.25000 0.21552 0.120 0.853 Si 0.33740 0.75000 0.03940 1.000 0.719 Si 0.68520 0.25000 0.27930 1.000 0.711 Si 0.18570 0.75000 0.32170 1.000 0.679 O 0.23260 0.98990 0.03020 1.000 1.066 O 0.30940 0.97360 0.36340 1.000 1.105 O 0.79480 0.01390 0.34030 1.000 0.955 O 0.05500 0.25000 0.12940 1.000 0.845 O 0.04710 0.75000 0.14950 1.000 0.908 O 0.06510 0.75000 0.40830 1.000 0.837 O 0.51040 0.75000 0.17920 1.000 1.090 O 0.53640 0.25000 0.32690 1.000 1.445 O 0.61650 0.25000 0.10170 1.000 1.421 O 0.08300 0.25000 0.42690 1.000 0.837 H 0.06000 0.25000 0.35000 1.000 4.737 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 14.85784280 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.59 29.82 9.2201 0 0 1 10.94 8.88 8.0841 1 0 0 11.07 14.95 7.9911 -1 0 1 17.39 13.34 5.0985 1 0 1 17.64 9.30 5.0287 -1 0 2 18.28 9.41 4.8531 0 1 1 19.03 6.97 4.6627 1 1 0 19.11 5.30 4.6447 -1 1 1 19.25 10.23 4.6101 0 0 2 21.99 2.29 4.0421 2 0 0 22.25 3.09 3.9955 -2 0 2 23.40 3.77 3.8024 1 1 1 23.58 8.08 3.7732 -1 1 2 24.83 6.67 3.5864 0 1 2 25.33 49.20 3.5168 -2 1 1 27.03 8.02 3.2987 2 1 0 27.24 5.45 3.2732 -2 1 2 27.61 17.39 3.2312 2 0 1 29.05 1.26 3.0734 0 0 3 30.43 1.58 2.9379 1 1 2 30.49 21.60 2.9318 -3 0 2 30.67 100.00 2.9154 -1 1 3 31.34 40.37 2.8539 0 2 0 31.82 15.50 2.8119 2 1 1 32.85 2.84 2.7263 0 2 1 33.10 33.45 2.7060 0 1 3 33.25 10.80 2.6947 3 0 0 33.29 28.84 2.6911 1 2 0 33.65 4.73 2.6637 -3 0 3 34.26 47.31 2.6175 -3 1 1 34.39 3.50 2.6079 -3 1 2 35.20 19.89 2.5492 2 0 2 35.68 4.84 2.5166 -1 0 4 35.71 2.90 2.5143 -2 0 4 36.07 2.55 2.4903 1 2 1 36.19 7.54 2.4820 -1 2 2 36.89 1.95 2.4368 3 1 0 37.05 5.12 2.4266 0 2 2 37.25 14.24 2.4138 -3 1 3 37.40 2.61 2.4047 -2 2 1 38.78 12.52 2.3223 -2 2 2 39.12 4.83 2.3027 -1 1 4 39.15 3.97 2.3010 -2 1 4 39.17 5.23 2.2998 -3 0 4 40.40 2.59 2.2325 -4 0 2 41.16 5.64 2.1929 1 2 2 41.35 5.37 2.1836 -1 2 3 41.48 17.26 2.1772 -4 0 1 41.77 6.22 2.1625 -4 0 3 41.83 2.81 2.1597 3 1 1 42.25 21.42 2.1390 2 2 1 42.29 7.07 2.1373 0 1 4 42.54 19.41 2.1251 -2 2 3 43.26 10.79 2.0913 0 2 3 43.94 9.27 2.0606 2 0 3 44.29 4.13 2.0450 -3 2 2 44.50 2.14 2.0360 -2 0 5 44.85 1.12 2.0210 4 0 0 45.40 1.71 1.9978 -4 0 4 46.36 2.02 1.9584 -3 0 5 46.88 1.99 1.9382 2 1 3 47.74 1.51 1.9051 4 1 0 47.84 13.57 1.9012 2 2 2 47.98 2.28 1.8961 1 2 3 48.13 7.99 1.8904 1 1 4 48.24 14.54 1.8866 -2 2 4 48.50 5.50 1.8768 3 1 2 49.19 1.52 1.8524 -3 1 5 49.20 2.17 1.8520 1 3 0 49.42 1.59 1.8440 0 0 5 50.53 1.19 1.8064 3 2 1 50.92 2.85 1.7932 0 2 4 51.00 1.16 1.7907 -3 2 4 51.32 5.22 1.7802 -5 0 2 52.01 4.66 1.7584 -4 2 2 52.26 6.74 1.7503 -2 3 1 52.89 2.80 1.7310 -4 2 1 53.19 1.34 1.7219 -5 0 1 53.21 1.55 1.7214 2 3 0 53.48 1.73 1.7133 2 0 4 53.55 7.80 1.7112 -4 1 5 53.95 2.77 1.6995 -5 1 2 54.09 4.89 1.6956 -2 0 6 54.96 1.53 1.6707 2 2 3 55.37 11.87 1.6593 -1 3 3 55.73 4.26 1.6493 4 2 0 55.76 6.32 1.6485 -5 1 1 55.96 10.16 1.6432 -1 0 6 56.04 2.89 1.6410 2 1 4 56.09 5.48 1.6398 1 2 4 56.10 2.65 1.6395 2 3 1 56.20 15.27 1.6366 -4 2 4 56.20 3.17 1.6366 -5 1 4 56.35 1.21 1.6327 -1 2 5 56.42 5.68 1.6309 3 2 2 56.63 1.70 1.6254 -2 1 6 56.92 5.43 1.6177 0 3 3 56.95 1.48 1.6168 5 0 0 57.28 1.59 1.6083 -3 1 6 57.68 10.10 1.5982 -3 3 1 57.77 1.46 1.5960 -3 3 2 57.93 7.75 1.5920 -4 0 6 58.13 8.27 1.5869 1 1 5 59.41 2.09 1.5556 5 1 0 59.46 7.35 1.5545 4 1 2 59.73 1.92 1.5482 -3 3 3 60.12 1.44 1.5390 -5 1 5 61.01 1.18 1.5187 -4 2 5 63.05 2.64 1.4743 -5 2 1 63.39 1.62 1.4673 0 3 4 63.46 3.45 1.4659 -6 0 4 63.46 4.96 1.4658 -5 2 4 63.86 5.97 1.4577 -2 2 6 64.47 2.04 1.4454 -3 2 6 64.72 1.09 1.4403 5 1 1 65.13 1.61 1.4322 4 0 3 65.40 16.31 1.4269 0 4 0 65.45 1.28 1.4260 -6 1 2 65.55 1.14 1.4240 -1 2 6 65.77 1.98 1.4198 -6 1 4 66.07 4.59 1.4142 2 1 5 66.46 1.99 1.4068 -3 1 7 66.50 7.37 1.4060 4 2 2 66.71 1.48 1.4022 -2 1 7 67.91 1.50 1.3803 -6 1 1 67.94 3.05 1.3796 1 3 4 68.47 2.59 1.3703 -4 1 7 69.28 1.29 1.3563 5 0 2 69.47 2.83 1.3530 0 2 6 71.50 1.38 1.3195 5 1 2 72.18 3.33 1.3088 -6 2 2 72.38 2.53 1.3056 -5 2 6 72.40 1.65 1.3053 2 4 1 72.41 2.63 1.3051 -4 3 5 72.49 3.19 1.3040 -6 2 4 72.75 1.37 1.2999 -5 3 2 73.54 1.69 1.2879 3 0 5 73.86 2.64 1.2831 -3 4 2 74.07 3.56 1.2800 4 2 3 74.29 3.08 1.2767 -5 3 1 74.43 1.61 1.2746 4 0 4 74.53 1.22 1.2732 2 3 4 74.53 2.13 1.2731 -6 2 1 75.14 3.25 1.2643 -6 2 5 75.37 1.46 1.2611 3 4 0 76.34 3.70 1.2474 1 3 5 76.51 4.03 1.2452 2 4 2 77.51 2.74 1.2315 4 3 2 78.50 1.23 1.2184 6 2 0 78.87 1.65 1.2136 -6 1 7 78.96 1.71 1.2125 -3 4 4 80.27 2.55 1.1959 0 2 7 80.47 2.48 1.1935 -4 4 1 80.67 1.01 1.1910 -4 4 3 82.17 1.61 1.1731 2 4 3 83.19 1.11 1.1612 -6 3 4 83.47 2.19 1.1581 2 3 5 83.83 1.10 1.1540 -3 3 7 84.20 1.23 1.1499 -6 0 8 85.69 1.47 1.1336 -4 3 7 85.85 2.21 1.1319 7 1 0 86.06 1.07 1.1297 0 1 8 86.99 1.25 1.1200 3 1 6 87.05 2.52 1.1194 -7 1 7 87.32 1.73 1.1167 -5 2 8 88.54 1.06 1.1044 5 3 2 89.84 1.54 1.0918 -2 4 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.