Senaite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060644 Armbruster T, Kunz M European Journal of Mineralogy 2 (1990) 163-170 Cation arrangement in a unusual uranium-rich senaite: crystal structure study at 130 K CELL PARAMETERS: 10.3840 10.3840 20.8950 90.000 90.000 120.000 SPACE GROUP: R-3 ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.00000 0.01340 0.254 2.310 U 0.00000 0.00000 0.50000 0.466 0.740 Fe 0.00000 0.00000 0.31020 0.667 0.660 Fe 0.18430 0.14380 0.16560 0.778 0.780 Ti -0.08420 0.24460 0.39200 0.925 0.890 Ti 0.07660 -0.24160 0.39840 0.899 0.790 Fe 0.00000 0.00000 0.39040 0.093 1.800 Fe 0.00000 0.00000 0.36430 0.093 1.800 Fe 0.10990 0.36640 0.16600 0.118 2.710 Fe 0.17600 0.11890 0.05640 0.133 4.670 Fe 0.17740 0.12700 0.27320 0.113 2.460 O -0.13110 0.05500 0.43810 1.000 1.340 O -0.28760 -0.49250 0.44430 1.000 1.370 O 0.35830 0.25700 0.55840 1.000 1.060 O -0.40740 -0.43950 0.55070 1.000 1.240 O 0.05220 0.19740 0.33520 1.000 1.190 O 0.36450 0.26670 0.33960 1.000 1.380 O 0.00000 0.00000 0.21420 1.000 1.060 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 8 +/- 19 MAX. ABS. INTENSITY / VOLUME**2: 12.34262246 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.99 9.89 6.8156 0 1 2 17.08 16.40 5.1920 1 1 0 20.20 1.24 4.3958 0 2 1 21.35 2.18 4.1627 1 1 3 21.35 4.05 4.1627 2 -1 3 21.52 13.64 4.1301 2 0 2 23.47 6.38 3.7898 0 1 5 25.58 3.04 3.4825 0 0 6 26.15 71.92 3.4078 0 2 4 26.57 3.63 3.3549 2 1 1 27.60 1.73 3.2322 -1 3 2 27.60 10.99 3.2322 1 2 2 29.17 47.97 3.0611 2 0 5 29.81 39.51 2.9976 3 0 0 30.92 44.49 2.8922 1 1 6 30.92 55.51 2.8922 2 -1 6 31.40 55.70 2.8490 3 -1 4 31.40 3.50 2.8490 2 1 4 31.58 2.49 2.8330 1 0 7 32.52 13.00 2.7534 0 3 3 32.52 11.59 2.7534 3 0 3 34.00 5.47 2.6369 -1 3 5 34.00 24.94 2.6369 1 2 5 34.55 14.88 2.5960 2 2 0 36.27 67.06 2.4766 -1 4 1 36.27 1.74 2.4766 1 3 1 36.95 6.21 2.4325 2 2 3 36.95 6.33 2.4325 4 -2 3 37.06 2.14 2.4260 4 -1 2 37.06 30.66 2.4260 3 1 2 38.79 5.71 2.3217 0 0 9 40.06 18.42 2.2508 1 3 4 40.06 38.20 2.2508 -1 4 4 40.21 1.58 2.2429 3 -1 7 42.19 58.37 2.1417 3 1 5 42.19 6.91 2.1417 4 -1 5 42.66 1.33 2.1194 2 -1 9 43.48 1.03 2.0813 2 2 6 43.71 3.85 2.0710 1 2 8 43.84 1.22 2.0651 4 0 4 44.52 3.37 2.0353 1 0 10 44.78 3.43 2.0240 2 3 2 46.26 9.03 1.9624 1 4 0 46.26 4.42 1.9624 4 1 0 47.38 12.06 1.9189 5 -2 4 47.38 2.06 1.9189 3 2 4 47.51 18.23 1.9140 -1 4 7 48.01 3.99 1.8949 0 2 10 48.18 1.18 1.8889 4 1 3 49.01 1.00 1.8585 0 1 11 49.26 11.80 1.8499 2 3 5 50.60 69.69 1.8038 3 1 8 51.33 7.90 1.7800 2 1 10 51.33 1.08 1.7800 3 -1 10 52.56 3.53 1.7413 0 0 12 52.90 1.28 1.7307 3 3 0 53.61 1.96 1.7096 -1 5 6 53.61 12.85 1.7096 1 4 6 53.61 4.17 1.7096 4 1 6 53.61 11.95 1.7096 5 -1 6 53.91 4.89 1.7006 0 5 4 54.03 1.27 1.6972 5 -2 7 54.15 2.04 1.6939 2 4 1 55.63 7.38 1.6521 5 0 5 55.68 1.28 1.6509 1 1 12 55.68 1.29 1.6509 2 -1 12 56.98 5.36 1.6161 -2 6 4 56.98 1.14 1.6161 2 4 4 57.54 75.90 1.6017 -1 4 10 57.76 1.83 1.5962 -1 6 2 58.64 3.25 1.5743 4 2 5 58.64 2.80 1.5743 6 -2 5 59.66 6.36 1.5498 6 -3 6 59.66 4.80 1.5498 3 3 6 59.95 5.45 1.5431 5 1 4 60.49 2.27 1.5305 4 0 10 61.35 29.27 1.5112 3 1 11 61.56 1.48 1.5065 -1 6 5 61.56 1.34 1.5065 1 5 5 61.91 2.39 1.4988 6 0 0 63.35 1.70 1.4681 3 2 10 63.49 1.66 1.4653 6 0 3 63.56 3.38 1.4638 -3 7 2 64.09 1.70 1.4530 2 1 13 64.09 2.46 1.4530 3 -1 13 64.74 76.99 1.4400 2 5 0 64.74 5.37 1.4400 5 2 0 65.63 6.17 1.4225 4 3 4 65.95 3.42 1.4165 2 0 14 66.28 1.58 1.4102 -2 7 3 66.28 1.95 1.4102 5 2 3 67.16 3.73 1.3938 -3 7 5 68.11 5.34 1.3767 6 0 6 68.11 6.55 1.3767 0 6 6 68.68 2.59 1.3666 1 2 14 69.58 4.46 1.3511 -1 4 13 69.92 4.76 1.3454 2 -1 15 69.92 1.39 1.3454 1 1 15 71.57 2.41 1.3184 2 4 10 72.58 1.48 1.3024 1 4 12 72.58 1.36 1.3024 5 -1 12 74.02 1.10 1.2807 3 1 14 74.21 1.02 1.2779 6 -1 10 75.86 1.57 1.2541 0 2 16 76.34 1.45 1.2475 7 0 4 76.53 5.08 1.2449 6 2 1 77.01 2.52 1.2383 -2 8 2 77.78 2.01 1.2280 0 7 5 78.10 2.20 1.2237 7 -2 9 78.10 2.18 1.2237 2 5 9 78.45 2.63 1.2191 3 -1 16 78.67 1.42 1.2163 8 -4 6 78.67 2.05 1.2163 4 4 6 78.92 2.45 1.2130 6 2 4 79.21 1.99 1.2092 2 3 14 79.40 1.22 1.2069 4 3 10 79.40 1.06 1.2069 7 -3 10 80.35 2.83 1.1950 -2 8 5 83.23 5.67 1.1608 0 0 18 83.57 1.95 1.1569 1 3 16 84.13 2.01 1.1507 6 2 7 84.32 1.33 1.1485 5 0 14 84.51 1.71 1.1465 -1 7 10 85.48 1.17 1.1359 6 0 12 85.48 1.85 1.1359 1 4 15 85.48 1.01 1.1359 5 -1 15 86.32 1.68 1.1270 8 -1 6 86.32 1.41 1.1270 1 7 6 86.48 7.67 1.1254 -2 8 8 88.01 1.59 1.1097 7 -2 12 88.01 1.66 1.1097 2 5 12 88.64 1.39 1.1034 5 -2 16 88.73 1.44 1.1025 3 1 17 89.10 2.13 1.0989 0 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.