Billietite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070624 Pagoaga M K, Appleman D E, Stewart J M American Mineralogist 72 (1987) 1230-1238 Crystal structures and crystal chemistry of the uranyl oxide hydrates becquerelite, billietite, and protasite Note: y-coordinate of O601u atom changed to make calculated bond lengths match those published CELL PARAMETERS: 12.0840 30.1870 7.1490 90.000 90.000 90.000 SPACE GROUP: Pbn2_1 ATOM X Y Z OCCUPANCY ISO(B) U 0.44426 0.25322 0.00450 1.000 0.255 U 0.25251 0.26419 0.43760 1.000 0.405 U 0.06112 0.25716 0.00750 1.000 0.276 U 0.43954 -0.00465 -0.01410 1.000 0.411 U 0.06074 -0.00560 -0.00810 1.000 0.392 U 0.25071 -0.01161 0.52910 1.000 0.395 Ba 0.36280 0.12391 -0.31200 1.000 1.071 O 0.46800 0.30840 0.02600 1.000 0.474 O 0.41600 0.19490 -0.00400 1.000 0.474 O 0.25500 0.32480 0.42300 1.000 0.474 O 0.25500 0.20460 0.46000 1.000 0.474 O 0.03100 0.31160 0.02300 1.000 0.474 O 0.07500 0.19970 -0.00700 1.000 0.474 O 0.38700 0.05190 -0.03100 1.000 0.474 O 0.49400 -0.06330 -0.02100 1.000 0.474 O 0.10900 0.05040 0.04100 1.000 0.474 O 0.01400 -0.06260 -0.05000 1.000 0.474 O 0.25800 0.04490 0.43800 1.000 0.474 O 0.24000 -0.06720 0.56100 1.000 0.474 O 0.39100 0.26820 0.70300 1.000 0.790 O 0.41100 0.25200 0.34900 1.000 0.316 O 0.09500 0.24790 0.30900 1.000 0.316 O 0.11800 0.26980 0.69100 1.000 0.790 O 0.27000 0.25710 0.01700 1.000 0.790 O 0.41800 -0.01440 0.67600 1.000 0.316 O 0.39400 -0.02680 0.32600 1.000 0.790 O 0.10400 -0.02750 0.32600 1.000 0.790 O 0.09000 -0.00510 0.69500 1.000 0.316 O 0.25200 -0.02590 -0.08200 1.000 0.790 O 0.23000 0.12210 -0.00800 1.000 0.553 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: 259.9126161 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.88 1.11 11.2185 1 1 0 11.73 100.00 7.5468 0 4 0 13.71 1.16 6.4609 0 2 1 14.40 1.52 6.1529 1 0 1 14.66 1.39 6.0420 2 0 0 15.55 2.85 5.6976 1 2 1 18.61 1.45 4.7688 1 4 1 18.81 2.90 4.7166 2 4 0 19.11 5.86 4.6447 1 6 0 20.12 1.52 4.4130 2 2 1 23.58 18.62 3.7734 0 8 0 24.91 16.55 3.5745 0 0 2 25.38 29.76 3.5093 3 0 1 26.20 3.03 3.4008 2 6 1 27.61 25.11 3.2305 0 4 2 28.04 41.25 3.1821 3 4 1 29.02 1.01 3.0764 2 0 2 29.57 1.08 3.0210 4 0 0 29.63 2.43 3.0145 2 2 2 30.52 1.40 2.9287 1 10 0 31.40 1.53 2.8488 2 4 2 31.91 2.91 2.8046 4 4 0 34.56 6.71 2.5950 0 8 2 34.92 13.58 2.5697 3 8 1 35.54 2.79 2.5262 2 10 1 35.69 3.31 2.5156 0 12 0 38.98 2.24 2.3104 1 2 3 39.04 2.94 2.3073 4 0 2 39.35 1.58 2.2895 5 0 1 39.79 1.84 2.2654 1 10 2 40.90 1.61 2.2065 4 4 2 41.20 1.76 2.1909 5 4 1 42.59 2.78 2.1227 1 14 0 42.64 1.12 2.1202 1 6 3 44.02 4.65 2.0572 0 12 2 44.16 7.29 2.0510 3 0 3 44.30 7.55 2.0445 3 12 1 45.01 2.62 2.0140 6 0 0 45.85 9.50 1.9792 3 4 3 46.11 1.70 1.9685 4 8 2 46.39 2.34 1.9574 5 8 1 46.49 2.98 1.9535 2 14 1 46.68 4.72 1.9459 6 4 0 48.24 2.11 1.8867 0 16 0 48.24 1.41 1.8866 5 10 0 48.97 1.30 1.8602 5 6 2 49.97 1.19 1.8251 1 14 2 50.66 5.93 1.8020 3 8 3 51.11 1.92 1.7873 0 0 4 51.43 2.13 1.7768 6 8 0 52.13 2.58 1.7547 6 0 2 52.63 2.68 1.7391 0 4 4 53.63 3.37 1.7091 6 4 2 53.84 1.53 1.7029 2 2 4 54.17 1.20 1.6932 5 12 1 54.41 1.19 1.6862 5 2 3 54.70 2.01 1.6781 7 0 1 54.94 1.02 1.6713 2 4 4 55.04 1.74 1.6685 0 16 2 55.28 3.00 1.6618 3 16 1 55.51 2.03 1.6555 5 4 3 56.15 3.10 1.6381 7 4 1 57.02 1.80 1.6152 0 8 4 57.96 2.61 1.5910 6 8 2 58.02 2.64 1.5896 3 12 3 58.56 2.65 1.5762 2 18 1 58.73 1.20 1.5722 6 12 0 60.37 1.87 1.5333 7 8 1 61.56 1.32 1.5064 1 18 2 63.40 1.93 1.4672 5 14 2 63.89 1.07 1.4570 0 12 4 63.94 1.34 1.4560 5 16 1 64.78 1.06 1.4391 6 12 2 66.46 1.32 1.4067 5 12 3 67.04 1.09 1.3960 7 12 1 67.45 1.75 1.3885 3 16 3 67.56 1.17 1.3865 3 20 1 68.05 1.33 1.3778 5 18 0 68.23 1.05 1.3746 7 4 3 70.40 1.06 1.3374 2 18 3 71.07 1.49 1.3265 3 4 5 71.70 1.03 1.3163 6 4 4 71.77 1.40 1.3152 2 22 1 73.69 1.17 1.2856 5 18 2 78.46 1.05 1.2190 8 14 1 85.86 1.27 1.1318 5 22 2 85.87 1.75 1.1318 10 4 2 89.46 1.14 1.0955 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.