Meta-uranocircite II Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070721 Locock A J, Burns P C, Flynn T M The Canadian Mineralogist 43 (2005) 721-733 Structures of strontium- and barium-dominant compounds that contain the autunite-type sheet CELL PARAMETERS: 9.8390 16.9000 9.8140 90.000 90.090 90.000 SPACE GROUP: P2_1/c ATOM X Y Z OCCUPANCY ISO(B) U -0.50710 -0.79811 0.73137 1.000 1.153 U -0.00705 -0.69617 0.72978 1.000 1.161 Ba -0.82940 -0.94228 0.87402 1.000 2.748 P -0.76220 -0.75760 0.47570 1.000 1.421 P -0.25790 -0.75850 0.47990 1.000 1.421 O -0.51740 -0.90500 0.74060 1.000 1.974 O -0.50960 -0.69510 0.71410 1.000 1.816 O -0.01140 -0.59340 0.70710 1.000 2.763 O -0.99190 -0.80190 0.75020 1.000 1.737 O -0.85830 -0.81680 0.40410 1.000 1.816 O -0.84200 -0.70290 0.56400 1.000 3.000 O -0.66300 -0.80260 0.55740 1.000 1.737 O -0.70140 -0.70660 0.36650 1.000 3.000 O -0.15910 -0.70160 0.54960 1.000 3.316 O -0.36210 -0.70740 0.40250 1.000 2.290 O -0.18230 -0.81150 0.37630 1.000 2.606 Wa -0.33480 -0.81090 0.58340 1.000 0.790 Wa -0.11850 -0.94150 0.91970 1.000 3.000 Wa -0.89720 -0.94620 0.59050 1.000 3.632 Wa -0.60890 -0.95260 0.06580 1.000 5.764 Wa -0.67520 -0.05130 0.73610 1.000 4.343 Wa -0.57840 -0.95460 0.41320 1.000 3.711 Wa -0.21000 -0.96370 0.65080 1.000 4.501 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 15 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 55.82127961 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.99 3.74 9.8390 1 0 0 10.40 2.10 8.5029 1 1 0 10.42 7.93 8.4868 0 1 1 10.47 100.00 8.4500 0 2 0 13.79 17.54 6.4221 1 1 1 13.81 2.17 6.4104 1 2 0 13.83 2.06 6.4034 0 2 1 16.51 22.29 5.3694 -1 2 1 16.53 49.32 5.3644 1 2 1 18.03 22.42 4.9195 2 0 0 18.08 30.80 4.9070 0 0 2 18.15 3.53 4.8887 1 3 0 18.16 1.00 4.8857 0 3 1 20.21 2.03 4.3939 -1 0 2 20.24 2.72 4.3884 1 0 2 20.86 3.33 4.2586 -2 1 1 20.89 33.88 4.2515 2 2 0 20.93 23.47 4.2434 0 2 2 21.03 12.42 4.2250 0 4 0 22.81 1.20 3.8992 2 2 1 22.81 1.99 3.8984 -1 2 2 22.83 1.22 3.8945 1 2 2 22.92 2.41 3.8807 0 4 1 24.02 1.31 3.7054 2 3 0 24.05 4.54 3.7001 0 3 2 24.66 71.55 3.6108 -1 4 1 24.67 41.78 3.6092 1 4 1 25.62 43.32 3.4769 -2 0 2 25.66 21.64 3.4715 2 0 2 26.17 2.66 3.4056 -2 1 2 26.21 8.13 3.4005 2 1 2 27.19 1.56 3.2797 3 0 0 27.74 29.27 3.2154 -2 2 2 27.78 45.04 3.2110 2 2 2 27.91 1.62 3.1966 1 5 0 29.21 1.31 3.0574 3 2 0 29.24 1.56 3.0546 -1 1 3 30.24 1.05 2.9554 2 3 2 30.61 17.56 2.9203 -3 2 1 30.64 9.27 2.9179 3 2 1 30.67 5.71 2.9150 -1 2 3 30.70 16.10 2.9126 1 2 3 32.16 1.86 2.7836 0 5 2 32.96 1.57 2.7178 1 3 3 33.29 1.06 2.6912 -2 1 3 33.34 1.76 2.6874 2 1 3 33.37 3.29 2.6847 -2 4 2 33.41 2.11 2.6822 2 4 2 34.35 6.87 2.6106 -1 6 1 34.36 14.30 2.6101 1 6 1 34.68 1.05 2.5866 0 4 3 35.84 2.38 2.5057 -3 4 1 35.86 3.53 2.5041 3 4 1 35.89 6.50 2.5024 -1 4 3 35.91 1.44 2.5008 1 4 3 36.53 5.92 2.4597 4 0 0 36.63 3.18 2.4535 0 0 4 36.64 1.44 2.4529 3 3 2 36.77 3.27 2.4444 2 6 0 36.79 2.43 2.4428 0 6 2 36.93 1.36 2.4341 4 1 0 37.02 3.36 2.4280 0 1 4 38.10 14.78 2.3617 4 2 0 38.20 14.51 2.3562 0 2 4 39.33 1.51 2.2906 -2 4 3 39.42 1.49 2.2857 1 5 3 39.52 1.94 2.2804 1 7 1 40.35 5.19 2.2354 -3 2 3 40.41 2.91 2.2321 3 2 3 41.02 4.42 2.2003 -4 0 2 41.07 10.20 2.1976 4 0 2 41.08 7.77 2.1970 -2 0 4 41.14 5.32 2.1942 2 0 4 41.28 1.12 2.1873 2 6 2 41.43 1.70 2.1792 4 1 2 41.45 1.08 2.1786 -2 1 4 41.50 4.61 2.1759 2 1 4 42.16 1.15 2.1436 -3 3 3 42.22 3.12 2.1407 3 3 3 42.45 10.74 2.1293 -4 2 2 42.50 1.38 2.1268 4 2 2 42.52 2.62 2.1263 -2 2 4 42.53 1.02 2.1257 4 4 0 42.57 4.39 2.1238 2 2 4 42.81 10.37 2.1125 0 8 0 43.33 12.04 2.0883 -3 6 1 43.35 6.66 2.0874 3 6 1 43.37 4.41 2.0864 -1 6 3 43.39 11.25 2.0855 1 6 3 44.59 13.26 2.0322 -3 4 3 44.64 12.85 2.0297 3 4 3 44.84 4.59 2.0213 -1 8 1 44.85 3.32 2.0210 1 8 1 46.80 4.61 1.9411 2 8 0 46.82 5.57 1.9403 0 8 2 47.62 2.66 1.9096 3 5 3 48.38 3.02 1.8815 -5 2 1 48.41 1.49 1.8804 5 2 1 48.49 2.77 1.8773 -1 2 5 48.52 1.37 1.8763 1 2 5 50.06 1.34 1.8220 -1 3 5 50.09 1.97 1.8210 1 3 5 50.56 4.84 1.8054 -2 8 2 50.58 2.09 1.8046 2 8 2 51.03 4.98 1.7898 -3 6 3 51.08 2.89 1.7881 3 6 3 52.10 3.82 1.7555 -5 4 1 52.13 6.83 1.7546 5 4 1 52.21 2.67 1.7521 -1 4 5 52.24 3.33 1.7512 1 4 5 52.36 1.07 1.7473 3 8 1 52.38 1.22 1.7467 -1 8 3 52.65 4.81 1.7385 -4 0 4 52.74 3.19 1.7357 4 0 4 52.80 1.96 1.7340 -4 6 2 52.95 1.09 1.7293 -4 1 4 53.04 2.52 1.7266 4 1 4 53.84 3.56 1.7028 -4 2 4 53.93 2.19 1.7002 4 2 4 54.28 1.45 1.6900 0 10 0 54.88 1.14 1.6730 -1 5 5 54.90 1.66 1.6723 1 5 5 55.39 1.55 1.6588 4 3 4 55.54 1.92 1.6547 -5 2 3 56.08 3.72 1.6398 6 0 0 56.24 2.02 1.6357 0 0 6 56.53 2.69 1.6281 0 1 6 56.69 1.15 1.6238 2 7 4 57.12 1.09 1.6126 3 3 5 57.23 1.91 1.6098 6 2 0 57.38 1.16 1.6059 0 2 6 57.68 5.84 1.5983 2 10 0 57.69 4.70 1.5979 0 10 2 57.92 3.25 1.5921 -5 6 1 57.95 1.83 1.5914 5 6 1 58.02 2.96 1.5895 -1 6 5 58.05 1.70 1.5889 1 6 5 58.94 1.88 1.5670 -5 4 3 59.01 2.99 1.5654 -3 4 5 59.02 2.49 1.5652 5 4 3 59.08 1.70 1.5636 3 4 5 59.17 1.47 1.5614 -3 8 3 59.22 1.42 1.5602 3 8 3 59.40 2.68 1.5560 -6 0 2 59.46 1.84 1.5546 6 0 2 59.53 1.20 1.5529 -2 0 6 59.59 1.57 1.5514 2 0 6 59.81 1.52 1.5463 -2 1 6 59.87 1.56 1.5449 2 1 6 60.50 1.61 1.5303 -6 2 2 60.56 2.29 1.5289 6 2 2 60.63 2.32 1.5273 -2 2 6 60.78 2.48 1.5239 -4 8 2 60.82 4.65 1.5229 4 8 2 60.83 3.95 1.5227 -2 8 4 60.87 2.70 1.5218 2 8 4 60.95 2.63 1.5200 -2 10 2 60.97 4.18 1.5195 2 10 2 61.55 1.01 1.5066 3 5 5 64.36 2.28 1.4475 -5 6 3 65.42 1.48 1.4267 2 9 4 65.53 1.03 1.4244 5 8 1 66.38 1.11 1.4083 0 12 0 67.21 2.52 1.3929 4 10 0 67.27 2.45 1.3918 0 10 4 67.91 1.65 1.3803 -1 12 1 67.91 1.02 1.3802 1 12 1 68.34 1.09 1.3726 7 2 1 69.42 1.19 1.3539 2 12 0 69.43 1.25 1.3537 0 12 2 69.77 1.20 1.3480 -1 3 7 69.83 1.26 1.3469 -6 2 4 70.10 1.55 1.3424 -4 8 4 70.18 1.13 1.3411 4 8 4 70.23 4.28 1.3403 -4 10 2 70.26 1.33 1.3397 4 10 2 70.27 1.82 1.3395 -2 10 4 70.31 1.97 1.3389 2 10 4 71.36 2.30 1.3218 -7 4 1 71.39 1.04 1.3213 7 4 1 71.40 1.21 1.3210 -5 4 5 71.57 1.40 1.3184 1 4 7 73.04 2.78 1.2954 6 8 0 73.18 1.41 1.2933 0 8 6 73.79 1.13 1.2842 -1 5 7 76.35 1.50 1.2473 7 6 1 76.37 1.12 1.2470 -5 6 5 76.48 1.06 1.2455 5 6 5 77.20 1.23 1.2357 -7 4 3 77.37 1.17 1.2334 0 9 6 78.11 1.18 1.2235 0 1 8 78.61 1.30 1.2171 8 2 0 79.66 1.00 1.2036 -3 12 3 80.81 1.03 1.1893 1 14 1 81.11 1.08 1.1857 4 12 2 81.85 1.47 1.1769 6 10 0 83.79 1.41 1.1544 6 1 6 84.35 1.16 1.1482 -6 2 6 86.47 1.18 1.1254 -3 14 1 86.51 1.11 1.1250 1 14 3 89.52 1.15 1.0948 4 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.