Ferriallanite-(La) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R141069 Kolitsch U, Mills S J, Miyawaki R, Blass G European Journal of Mineralogy 24 (2012) 741-747 Ferriallanite-(La), a new member of the epidote supergroup from the Eifel, Germany Locality: Eifel, Germany _database_code_amcsd 0019361 CELL PARAMETERS: 8.9060 5.7550 10.1160 90.000 114.640 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.76046 0.75000 0.15288 1.000 0.873 La 0.59388 0.75000 0.42825 0.490 0.613 Ce 0.59388 0.75000 0.42825 0.420 0.613 Ca 0.59388 0.75000 0.42825 0.090 0.613 Fe 0.00000 0.00000 0.00000 0.584 0.433 Al 0.00000 0.00000 0.00000 0.416 0.433 Al 0.00000 0.00000 0.50000 0.940 0.401 Fe 0.00000 0.00000 0.50000 0.060 0.401 Fe 0.30497 0.25000 0.21342 0.490 0.575 Mn 0.30497 0.25000 0.21342 0.290 0.575 Ti 0.30497 0.25000 0.21342 0.170 0.575 Mg 0.30497 0.25000 0.21342 0.050 0.575 Si 0.34084 0.75000 0.03618 1.000 0.471 Si 0.68762 0.25000 0.28082 1.000 0.476 Si 0.18913 0.75000 0.32480 1.000 0.422 O 0.23651 0.98750 0.02589 1.000 0.750 O 0.31313 0.97070 0.36550 1.000 0.695 O 0.79676 0.01520 0.33783 1.000 0.774 O 0.05782 0.25000 0.13362 1.000 0.750 O 0.05050 0.75000 0.15390 1.000 0.687 O 0.06880 0.75000 0.41141 1.000 0.671 O 0.51000 0.75000 0.17730 1.000 0.829 O 0.54370 0.25000 0.33517 1.000 1.232 O 0.61050 0.25000 0.10335 1.000 0.971 O 0.08640 0.25000 0.42927 1.000 0.632 H 0.06800 0.25000 0.34200 1.000 2.763 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 18.72121910 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.62 25.50 9.1949 0 0 1 10.93 11.46 8.0951 1 0 0 11.15 34.61 7.9341 -1 0 1 17.35 16.60 5.1104 1 0 1 17.78 13.94 4.9896 -1 0 2 18.19 5.24 4.8783 0 1 1 18.92 14.14 4.6905 1 1 0 19.05 5.62 4.6585 -1 1 1 19.31 12.61 4.5974 0 0 2 22.41 3.75 3.9670 -2 0 2 23.28 3.32 3.8213 1 1 1 23.60 8.81 3.7700 -1 1 2 24.79 11.57 3.5920 0 1 2 25.29 54.23 3.5211 -2 1 1 26.93 13.03 3.3107 2 1 0 27.30 4.23 3.2662 -2 1 2 27.53 11.83 3.2398 2 0 1 28.26 3.45 3.1579 -2 0 3 30.33 3.90 2.9467 1 1 2 30.64 21.51 2.9181 -3 0 2 30.75 100.00 2.9075 -1 1 3 31.08 38.12 2.8775 0 2 0 31.69 12.18 2.8232 2 1 1 32.61 5.90 2.7462 0 2 1 33.04 37.12 2.7113 1 2 0 33.11 36.33 2.7052 0 1 3 33.20 13.45 2.6984 3 0 0 33.90 4.82 2.6447 -3 0 3 34.23 51.28 2.6193 -3 1 1 34.46 2.76 2.6026 -3 1 2 35.12 25.42 2.5552 2 0 2 35.37 1.69 2.5374 1 0 3 35.81 1.33 2.5074 1 2 1 35.89 5.02 2.5024 -1 0 4 36.00 2.64 2.4948 -2 0 4 36.03 6.81 2.4927 -1 2 2 36.79 2.67 2.4431 3 1 0 36.85 6.33 2.4391 0 2 2 37.42 14.05 2.4031 -3 1 3 38.49 1.07 2.3391 3 0 1 38.66 14.03 2.3293 -2 2 2 39.26 5.13 2.2948 -1 1 4 39.36 4.42 2.2890 -2 1 4 39.50 8.64 2.2812 -3 0 4 40.53 1.58 2.2258 -4 0 2 40.94 9.36 2.2046 1 2 2 41.26 7.39 2.1880 -1 2 3 41.50 20.88 2.1761 -4 0 1 41.68 2.68 2.1669 3 1 1 42.00 20.73 2.1514 2 2 1 42.01 6.28 2.1507 -4 0 3 42.34 6.50 2.1347 0 1 4 42.50 19.47 2.1269 -2 2 3 43.12 12.61 2.0978 0 2 3 43.86 8.70 2.0641 2 0 3 44.20 2.06 2.0489 -3 2 2 44.51 1.46 2.0354 -4 1 1 44.84 2.17 2.0215 -2 0 5 45.00 1.47 2.0146 -4 1 3 45.74 1.49 1.9835 -4 0 4 46.65 2.59 1.9472 -3 2 3 46.75 2.34 1.9429 2 1 3 47.59 13.99 1.9106 2 2 2 47.63 1.08 1.9092 4 1 0 47.79 2.47 1.9032 1 2 3 48.11 6.64 1.8915 1 1 4 48.28 15.29 1.8850 -2 2 4 48.34 6.33 1.8829 3 1 2 48.79 3.27 1.8666 1 3 0 49.52 1.48 1.8405 -3 1 5 49.57 3.15 1.8390 0 0 5 50.27 1.01 1.8150 3 2 1 50.84 3.42 1.7960 0 2 4 51.09 1.52 1.7876 -3 2 4 51.43 6.11 1.7767 -5 0 2 51.63 1.32 1.7704 0 3 2 51.90 7.89 1.7617 -2 3 1 51.94 5.90 1.7606 -4 2 2 52.74 3.18 1.7356 -4 2 1 52.81 2.49 1.7335 2 3 0 53.20 1.69 1.7218 -5 0 1 53.42 1.90 1.7152 2 0 4 53.93 6.76 1.7000 -4 1 5 54.02 1.89 1.6976 -5 1 2 54.47 4.48 1.6845 -2 0 6 54.73 3.03 1.6772 2 2 3 55.09 12.58 1.6670 -1 3 3 55.51 5.67 1.6554 4 2 0 55.68 2.29 1.6507 2 3 1 55.73 6.20 1.6495 -5 1 1 55.94 5.10 1.6438 1 2 4 55.94 2.93 1.6438 2 1 4 56.15 8.25 1.6382 3 2 2 56.25 11.41 1.6355 -1 0 6 56.34 18.40 1.6331 -4 2 4 56.40 2.09 1.6314 -1 2 5 56.49 4.25 1.6289 -5 1 4 56.60 6.20 1.6261 0 3 3 56.87 1.78 1.6190 5 0 0 56.96 2.32 1.6167 -2 1 6 57.34 11.80 1.6069 -3 3 1 57.49 1.27 1.6030 -3 3 2 57.70 2.51 1.5978 -3 1 6 58.13 8.92 1.5868 1 1 5 58.45 8.25 1.5790 -4 0 6 59.26 8.19 1.5593 4 1 2 59.29 1.33 1.5585 5 1 0 59.53 1.94 1.5528 -3 3 3 60.52 1.78 1.5297 -5 1 5 60.83 1.06 1.5227 -4 1 6 62.90 3.80 1.4775 -5 2 1 63.12 1.61 1.4728 0 3 4 63.62 4.86 1.4626 -5 2 4 63.79 4.20 1.4590 -6 0 4 64.05 6.94 1.4537 -2 2 6 64.53 1.63 1.4441 5 1 1 64.74 1.92 1.4400 -3 2 6 64.80 17.08 1.4388 0 4 0 64.95 1.14 1.4359 4 0 3 65.50 1.48 1.4250 -6 1 2 65.66 1.33 1.4219 -1 2 6 65.99 5.52 1.4157 2 1 5 66.06 2.31 1.4143 -6 1 4 66.20 7.55 1.4116 4 2 2 66.95 2.19 1.3977 -3 1 7 67.10 1.16 1.3949 -2 1 7 67.63 2.74 1.3853 1 3 4 67.81 1.12 1.3820 3 3 2 67.86 2.06 1.3812 -6 1 1 69.03 3.28 1.3605 -4 1 7 69.08 1.64 1.3598 5 0 2 69.49 3.25 1.3526 0 2 6 71.20 1.08 1.3244 5 2 1 71.26 1.71 1.3233 5 1 2 71.79 1.31 1.3149 2 4 1 71.87 1.04 1.3136 0 0 7 72.12 3.85 1.3097 -6 2 2 72.45 2.43 1.3046 -4 3 5 72.52 1.02 1.3035 -5 3 2 72.66 3.75 1.3013 -6 2 4 72.76 3.43 1.2997 -5 2 6 73.37 2.91 1.2904 -3 4 2 73.41 2.05 1.2898 3 0 5 73.75 3.20 1.2848 4 2 3 73.98 3.26 1.2814 -5 3 1 74.16 1.35 1.2786 2 3 4 74.23 2.30 1.2776 4 0 4 74.38 1.94 1.2754 -6 2 1 74.64 1.21 1.2716 -5 3 4 74.78 1.94 1.2696 3 4 0 75.04 1.18 1.2658 -2 3 6 75.44 2.72 1.2601 -6 2 5 75.68 1.49 1.2567 -3 3 6 75.89 5.32 1.2537 2 4 2 76.07 4.26 1.2513 1 3 5 76.35 1.04 1.2473 -1 4 4 77.05 3.17 1.2377 4 3 2 78.14 1.35 1.2231 -7 1 2 78.18 1.06 1.2226 -2 1 8 78.26 1.72 1.2216 6 2 0 78.62 2.67 1.2169 -3 4 4 79.54 1.62 1.2051 -6 1 7 79.93 3.41 1.2001 -4 4 1 80.28 1.18 1.1958 -4 4 3 80.35 1.94 1.1949 0 2 7 81.56 1.76 1.1803 2 4 3 83.12 2.79 1.1621 2 3 5 83.19 1.35 1.1613 -6 3 4 84.00 1.24 1.1521 -3 3 7 84.85 1.05 1.1428 -6 3 1 85.04 1.37 1.1406 -6 0 8 85.68 1.74 1.1338 7 1 0 85.94 1.98 1.1310 -4 3 7 86.31 1.31 1.1271 0 1 8 86.84 1.15 1.1216 3 1 6 87.18 1.01 1.1181 -5 -4 2 87.55 1.25 1.1144 -2 5 1 87.77 3.07 1.1121 -7 1 7 87.95 1.77 1.1103 -5 2 8 88.04 1.37 1.1093 5 3 2 89.61 1.58 1.0940 -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.