Iriginite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060269 Krivovichev S V, Burns P C The Canadian Mineralogist 38 (2000) 847-851 The crystal chemistry of uranyl molybdates. II. the crystal structure of iriginite CELL PARAMETERS: 6.7100 12.8400 11.5800 90.000 90.000 90.000 SPACE GROUP: Pbcm ATOM X Y Z OCCUPANCY ISO(B) U 0.70160 0.49398 0.25000 1.000 1.240 Mo 0.16840 0.46925 0.09234 1.000 1.453 O 0.68800 0.35400 0.25000 1.000 2.606 O 0.70600 0.63300 0.25000 1.000 2.685 O 0.41500 0.49750 0.12660 1.000 2.211 O 0.14600 0.50980 -0.06440 1.000 1.500 O 0.05500 0.48000 0.25000 1.000 2.211 Wa 0.14000 0.65560 0.12120 1.000 2.053 O 0.16900 0.33690 0.08190 1.000 2.527 Wa 0.44800 0.75000 0.00000 1.000 3.948 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 11 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 128.0821446 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.18 / 13.22 1.73 / 0.87 6.7100 1 0 0 13.78 / 13.82 100.00 / 50.00 6.4200 0 2 0 15.29 / 15.33 6.86 / 3.43 5.7900 0 0 2 15.77 / 15.81 1.99 / 0.99 5.6148 0 2 1 16.74 / 16.79 16.51 / 8.26 5.2901 1 1 1 20.24 / 20.29 4.80 / 2.40 4.3836 1 0 2 20.64 / 20.69 11.77 / 5.89 4.2997 0 2 2 24.57 / 24.63 7.34 / 3.67 3.6202 1 2 2 24.65 / 24.71 1.44 / 0.72 3.6084 1 3 0 25.84 / 25.91 8.96 / 4.48 3.4451 1 3 1 26.55 / 26.61 10.02 / 5.01 3.3550 2 0 0 27.53 / 27.60 67.84 / 33.92 3.2378 1 1 3 27.77 / 27.84 14.44 / 7.22 3.2100 0 4 0 28.53 / 28.61 19.78 / 9.89 3.1255 2 1 1 28.84 / 28.91 2.79 / 1.39 3.0934 0 4 1 29.14 / 29.21 1.24 / 0.62 3.0624 1 3 2 30.03 / 30.10 10.72 / 5.36 2.9735 2 2 0 30.78 / 30.85 3.75 / 1.88 2.9029 2 0 2 31.85 / 31.93 1.94 / 0.97 2.8074 0 4 2 33.69 / 33.78 2.84 / 1.42 2.6582 1 0 4 33.86 / 33.95 2.89 / 1.45 2.6451 2 2 2 33.98 / 34.07 14.79 / 7.40 2.6360 1 3 3 34.82 / 34.91 3.11 / 1.56 2.5744 2 3 1 38.29 / 38.39 2.96 / 1.48 2.3485 1 5 1 38.79 / 38.89 2.65 / 1.33 2.3194 2 4 0 41.69 / 41.80 4.13 / 2.06 2.1646 3 1 1 41.82 / 41.93 6.36 / 3.18 2.1581 1 1 5 41.93 / 42.03 2.38 / 1.19 2.1531 2 4 2 41.99 / 42.10 1.26 / 0.63 2.1498 0 4 4 42.19 / 42.30 5.51 / 2.75 2.1400 0 6 0 42.94 / 43.06 1.76 / 0.88 2.1044 0 6 1 43.33 / 43.44 6.10 / 3.05 2.0864 3 0 2 43.60 / 43.71 2.24 / 1.12 2.0743 2 2 4 44.39 / 44.50 1.63 / 0.82 2.0392 2 5 0 44.43 / 44.55 8.95 / 4.48 2.0372 1 5 3 45.11 / 45.23 2.54 / 1.27 2.0083 2 5 1 45.13 / 45.25 1.93 / 0.97 2.0073 0 6 2 45.68 / 45.80 6.00 / 3.00 1.9843 3 2 2 46.44 / 46.56 1.68 / 0.84 1.9539 3 3 1 46.56 / 46.68 2.90 / 1.45 1.9491 1 3 5 47.05 / 47.17 4.94 / 2.47 1.9300 0 0 6 47.22 / 47.35 1.07 / 0.54 1.9231 1 6 2 47.47 / 47.60 1.86 / 0.93 1.9136 3 1 3 48.23 / 48.36 2.33 / 1.17 1.8853 2 1 5 49.26 / 49.39 6.55 / 3.27 1.8483 0 2 6 49.30 / 49.43 1.76 / 0.88 1.8469 1 5 4 50.55 / 50.68 2.13 / 1.07 1.8042 2 6 0 51.60 / 51.73 4.37 / 2.19 1.7700 3 0 4 51.80 / 51.94 1.35 / 0.68 1.7634 3 3 3 52.25 / 52.39 3.37 / 1.69 1.7494 3 4 2 52.26 / 52.40 2.06 / 1.03 1.7491 1 7 1 52.51 / 52.65 1.53 / 0.77 1.7411 2 3 5 53.13 / 53.27 1.20 / 0.60 1.7225 2 6 2 53.67 / 53.82 4.70 / 2.35 1.7063 3 2 4 54.83 / 54.98 2.63 / 1.32 1.6729 2 0 6 54.97 / 55.12 1.23 / 0.62 1.6690 3 5 1 55.08 / 55.23 2.19 / 1.09 1.6660 1 5 5 55.39 / 55.54 1.23 / 0.61 1.6574 3 4 3 55.51 / 55.66 2.60 / 1.30 1.6541 0 4 6 55.79 / 55.94 5.14 / 2.57 1.6465 4 1 1 56.82 / 56.98 2.76 / 1.38 1.6189 2 2 6 57.23 / 57.38 3.62 / 1.81 1.6084 1 7 3 57.36 / 57.52 1.00 / 0.50 1.6050 0 8 0 57.79 / 57.95 1.20 / 0.60 1.5941 2 7 1 59.60 / 59.76 1.88 / 0.94 1.5500 3 4 4 59.69 / 59.85 2.40 / 1.20 1.5478 4 3 1 60.41 / 60.57 1.07 / 0.53 1.5312 2 6 4 62.08 / 62.25 1.92 / 0.96 1.4939 3 6 2 62.56 / 62.73 1.83 / 0.91 1.4836 2 4 6 63.01 / 63.19 2.55 / 1.28 1.4739 2 1 7 64.91 / 65.09 1.44 / 0.72 1.4354 3 6 3 65.02 / 65.20 1.92 / 0.96 1.4332 0 6 6 66.44 / 66.63 1.67 / 0.83 1.4060 1 7 5 66.51 / 66.70 1.00 / 0.50 1.4046 2 8 2 67.08 / 67.27 1.76 / 0.88 1.3942 4 5 1 67.56 / 67.75 1.46 / 0.73 1.3854 1 9 1 68.77 / 68.97 1.88 / 0.94 1.3639 3 6 4 69.52 / 69.72 1.23 / 0.62 1.3510 4 1 5 71.53 / 71.73 1.07 / 0.53 1.3180 2 6 6 73.92 / 74.14 1.24 / 0.62 1.2811 5 2 2 75.54 / 75.76 2.08 / 1.04 1.2576 1 1 9 77.48 / 77.71 1.05 / 0.53 1.2309 4 7 1 78.93 / 79.16 1.32 / 0.66 1.2119 1 3 9 80.17 / 80.41 1.36 / 0.68 1.1962 5 2 4 82.10 / 82.35 1.75 / 0.88 1.1730 4 1 7 85.42 / 85.68 1.05 / 0.53 1.1357 4 3 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.