Billietite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070588 Finch R J, Burns P C, Hawthorne F C, Ewing R C The Canadian Mineralogist 44 (2006) 1197-1205 Refinement of the crystal structure of billietite, Ba [(UO2)6 O4 (OH)6] (H2O)8 Locality: Shaba, Democratic Republic of Congo CELL PARAMETERS: 12.0830 30.1950 7.1479 90.000 90.000 90.000 SPACE GROUP: Pbn2_1 ATOM X Y Z OCCUPANCY ISO(B) Ba 0.63786 0.87627 0.31550 1.000 1.627 U 0.55842 0.74671 0.00092 1.000 0.869 U 0.74723 0.73833 0.53910 1.000 0.916 U 0.93753 0.74265 0.99884 1.000 0.853 U 0.55865 0.00466 0.01958 1.000 0.892 U 0.94118 0.00557 0.01401 1.000 0.908 U 0.74929 0.01411 0.44810 1.000 0.892 O 0.52130 0.69030 0.95200 1.000 1.579 O 0.59900 0.80240 0.05800 1.000 1.390 O 0.74310 0.68040 0.59900 1.000 1.445 O 0.74640 0.79360 0.44500 1.000 1.350 O 0.97530 0.68660 0.95200 1.000 1.334 O 0.89930 0.79830 0.05200 1.000 1.595 O 0.60620 0.94770 0.03200 1.000 1.832 O 0.51150 0.06160 0.01100 1.000 1.311 O 0.89650 0.94940 0.98000 1.000 1.816 O 0.98350 0.06240 0.03900 1.000 1.500 O 0.73810 0.95380 0.47300 1.000 1.532 O 0.75470 0.07330 0.43200 1.000 0.916 OH 0.60160 0.72380 0.32200 1.000 1.098 O 0.59350 0.75580 0.69100 1.000 1.240 O 0.90380 0.74960 0.68800 1.000 0.845 OH 0.89120 0.72110 0.32200 1.000 1.098 OH 0.74640 0.72440 0.96800 1.000 1.453 O 0.57790 0.01360 0.32600 1.000 1.311 OH 0.61470 0.02100 0.69700 1.000 1.082 OH 0.88800 0.02290 0.69100 1.000 1.011 O 0.91610 0.00430 0.32500 1.000 1.619 OH 0.74920 0.02720 0.07600 1.000 1.200 O 0.77390 0.87330 0.99500 1.000 2.384 O 0.92200 0.63120 0.31400 1.000 2.519 O 0.41290 0.88830 0.20200 1.000 2.582 O 0.91790 0.11440 0.69000 1.000 3.016 O 0.56450 0.63450 0.30000 1.000 3.245 O 0.74190 0.62490 0.02500 1.000 4.256 O 0.63400 0.86020 0.69600 1.000 4.129 O 0.86400 0.87550 0.39000 1.000 3.569 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 27 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 210.3875815 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.88 1.37 11.2181 1 1 0 11.72 100.00 7.5487 0 4 0 13.71 1.43 6.4604 0 2 1 14.40 3.46 6.1520 1 0 1 14.66 1.93 6.0415 2 0 0 15.55 3.30 5.6972 1 2 1 18.81 3.17 4.7169 2 4 0 19.10 6.53 4.6457 1 6 0 20.12 1.10 4.4127 2 2 1 23.57 25.92 3.7744 0 8 0 24.91 18.25 3.5740 0 0 2 25.38 32.77 3.5090 3 0 1 26.20 4.39 3.4010 2 6 1 27.61 31.64 3.2302 0 4 2 27.87 1.07 3.2010 2 8 0 28.04 54.24 3.1820 3 4 1 29.57 1.02 3.0208 4 0 0 29.64 2.86 3.0141 2 2 2 30.52 1.94 2.9294 1 10 0 31.40 2.21 2.8486 2 4 2 31.91 3.93 2.8045 4 4 0 34.56 7.54 2.5951 0 8 2 34.91 15.38 2.5699 3 8 1 35.53 2.77 2.5266 2 10 1 35.68 3.05 2.5162 0 12 0 38.77 1.19 2.3228 2 12 0 38.99 2.48 2.3101 1 2 3 39.04 3.52 2.3071 4 0 2 39.36 1.70 2.2893 5 0 1 39.79 2.13 2.2656 1 10 2 40.90 1.82 2.2063 4 4 2 41.21 2.14 2.1908 5 4 1 42.58 3.09 2.1232 1 14 0 42.65 1.22 2.1201 1 6 3 44.01 5.51 2.0575 0 12 2 44.16 8.82 2.0507 3 0 3 44.27 1.05 2.0462 4 10 1 44.30 9.79 2.0448 3 12 1 45.02 3.27 2.0138 6 0 0 45.85 10.22 1.9790 3 4 3 46.11 2.10 1.9685 4 8 2 46.39 2.70 1.9574 5 8 1 46.48 3.67 1.9539 2 14 1 46.63 1.42 1.9476 2 12 2 46.68 5.03 1.9458 6 4 0 48.22 2.44 1.8872 0 16 0 48.23 1.94 1.8867 5 10 0 48.97 1.65 1.8601 5 6 2 49.96 1.54 1.8254 1 14 2 50.66 7.62 1.8019 3 8 3 51.11 2.03 1.7870 0 0 4 51.12 1.14 1.7868 2 10 3 51.43 2.62 1.7767 6 8 0 52.13 2.71 1.7545 6 0 2 52.63 3.03 1.7389 0 4 4 53.63 4.04 1.7089 6 4 2 53.84 1.65 1.7027 2 2 4 54.16 1.28 1.6933 5 12 1 54.42 1.31 1.6860 5 2 3 54.70 2.15 1.6779 7 0 1 54.95 1.18 1.6711 2 4 4 55.03 1.76 1.6688 0 16 2 55.04 1.00 1.6685 5 10 2 55.27 3.31 1.6621 3 16 1 55.51 2.07 1.6554 5 4 3 56.15 3.35 1.6379 7 4 1 57.02 2.12 1.6151 0 8 4 57.27 1.08 1.6086 2 16 2 57.97 2.82 1.5910 6 8 2 58.02 2.88 1.5896 3 12 3 58.55 2.90 1.5765 2 18 1 58.72 1.20 1.5723 6 12 0 59.76 1.08 1.5475 5 8 3 60.37 2.13 1.5332 7 8 1 61.55 1.42 1.5067 1 18 2 63.39 2.06 1.4673 5 14 2 63.89 1.13 1.4569 0 12 4 63.93 1.37 1.4562 5 16 1 64.78 1.18 1.4392 6 12 2 66.46 1.36 1.4067 5 12 3 67.04 1.25 1.3960 7 12 1 67.44 1.90 1.3887 3 16 3 67.54 1.32 1.3868 3 20 1 68.03 1.50 1.3780 5 18 0 68.23 1.16 1.3745 7 4 3 70.39 1.13 1.3376 2 18 3 71.08 1.68 1.3263 3 4 5 71.71 1.05 1.3161 6 4 4 71.75 1.61 1.3155 2 22 1 73.68 1.26 1.2858 5 18 2 78.45 1.12 1.2191 8 14 1 85.85 1.23 1.1320 5 22 2 85.87 1.74 1.1317 10 4 2 89.46 1.17 1.0954 10 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.