Cobaltomenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070352 Wildner M Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 353-362 Crystal structure refinements of synthetic cobaltomenite (CoSeO3*2H2O) and ahlfeldite (NiSeO3*2H2O) Locality: synthetic _database_code_amcsd 0014845 CELL PARAMETERS: 6.4931 8.8190 7.6100 90.000 98.890 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Co 0.34882 0.63789 0.51736 1.000 1.240 Se 0.60353 0.15328 0.83756 1.000 1.161 O 0.67520 0.32580 0.76570 1.000 1.532 O 0.67290 0.59310 0.53270 1.000 1.492 O 0.46070 0.20080 0.99700 1.000 1.611 Ow 0.38390 0.56370 0.79510 1.000 1.777 Ow 0.41850 0.85970 0.57840 1.000 1.950 H 0.48600 0.49700 0.81200 1.000 2.985 H 0.44300 0.64000 0.87700 1.000 2.748 H 0.34800 0.91000 0.60100 1.000 2.148 H 0.55100 0.87100 0.63200 1.000 4.603 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 8 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 24.62378391 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.49 100.00 5.7215 0 1 1 16.72 16.86 5.3014 -1 0 1 19.53 8.36 4.5456 1 0 1 19.54 4.56 4.5436 -1 1 1 20.14 12.67 4.4095 0 2 0 22.00 27.40 4.0404 1 1 1 23.39 34.12 3.8036 0 2 1 23.67 5.35 3.7593 0 0 2 25.76 48.69 3.4582 0 1 2 27.51 15.95 3.2427 -1 1 2 28.20 11.40 3.1650 1 2 1 29.64 71.04 3.0144 2 1 0 30.30 15.75 2.9498 -2 1 1 32.71 32.29 2.7378 0 3 1 32.74 2.34 2.7351 -1 2 2 33.53 9.12 2.6724 1 3 0 33.60 2.52 2.6673 2 1 1 33.82 13.53 2.6507 -2 0 2 35.16 18.16 2.5524 -2 2 1 35.84 25.48 2.5054 1 2 2 36.42 8.48 2.4672 -1 0 3 37.30 1.34 2.4107 0 1 3 37.87 23.94 2.3760 -1 1 3 38.09 4.25 2.3627 2 2 1 38.89 1.87 2.3157 0 3 2 39.66 4.59 2.2728 2 0 2 40.12 9.96 2.2475 -1 3 2 40.62 13.36 2.2209 1 0 3 40.93 19.26 2.2048 0 4 0 41.68 6.29 2.1672 2 3 0 41.95 5.95 2.1537 1 1 3 42.17 3.83 2.1428 -2 3 1 43.55 3.81 2.0781 3 1 0 44.51 4.59 2.0357 -1 4 1 44.71 2.63 2.0268 2 3 1 44.87 3.49 2.0202 2 2 2 45.88 6.87 1.9779 3 0 1 47.17 2.22 1.9267 -2 2 3 47.24 2.95 1.9241 3 2 0 47.83 1.48 1.9018 0 4 2 48.15 1.61 1.8898 -1 3 3 48.43 1.02 1.8796 0 0 4 50.17 2.32 1.8184 -3 2 2 50.58 1.05 1.8047 3 2 1 50.64 3.63 1.8025 -2 4 1 51.15 4.27 1.7857 1 4 2 51.73 6.14 1.7671 -3 0 3 52.84 2.87 1.7327 -3 1 3 52.84 15.35 1.7326 -1 2 4 52.89 2.43 1.7312 -2 3 3 52.95 1.46 1.7293 3 3 0 53.49 6.61 1.7131 3 1 2 53.92 4.79 1.7005 1 1 4 54.11 6.83 1.6950 -2 4 2 55.92 4.81 1.6443 1 5 1 55.93 3.27 1.6440 -1 4 3 57.46 5.39 1.6038 4 0 0 57.74 5.71 1.5968 0 5 2 57.86 2.91 1.5937 -4 1 1 59.04 5.83 1.5647 1 4 3 59.84 9.65 1.5455 2 5 0 60.04 4.32 1.5409 -4 1 2 60.24 1.01 1.5363 -2 4 3 60.30 1.35 1.5350 3 4 0 60.91 3.27 1.5210 -4 2 1 61.08 1.52 1.5171 -1 0 5 61.17 2.69 1.5152 3 0 3 61.33 5.01 1.5115 -3 1 4 61.79 7.42 1.5014 3 3 2 62.08 2.11 1.4951 -1 1 5 62.16 5.43 1.4933 3 1 3 62.18 4.77 1.4929 1 3 4 62.67 1.17 1.4823 0 1 5 62.80 1.15 1.4797 -3 4 2 63.15 3.14 1.4723 3 4 1 63.27 2.06 1.4698 0 6 0 65.00 4.89 1.4348 -1 5 3 65.13 1.75 1.4323 -1 4 4 65.81 3.93 1.4191 -4 3 1 66.90 1.34 1.3985 1 6 1 66.92 1.21 1.3983 1 1 5 67.73 2.39 1.3834 -4 2 3 67.86 1.43 1.3812 1 5 3 67.99 2.58 1.3789 -3 4 3 69.05 5.32 1.3601 -3 3 4 70.32 2.31 1.3387 0 3 5 70.81 2.31 1.3306 -3 0 5 70.82 1.24 1.3304 -2 6 1 71.24 1.52 1.3237 1 6 2 72.66 1.03 1.3013 2 6 1 72.70 1.28 1.3007 -2 3 5 72.94 2.90 1.2969 4 4 0 73.70 1.53 1.2854 -2 6 2 75.46 3.26 1.2598 3 2 4 75.93 1.62 1.2531 0 0 6 76.70 1.07 1.2425 0 7 1 77.20 1.81 1.2356 2 2 5 77.31 1.27 1.2342 2 6 2 77.95 1.48 1.2257 1 6 3 81.18 1.46 1.1849 -1 7 2 81.93 1.57 1.1759 5 3 0 82.38 2.31 1.1706 -4 5 2 82.98 1.08 1.1637 -1 3 6 84.18 1.37 1.1501 -1 5 5 84.25 1.77 1.1493 3 5 3 85.18 1.57 1.1392 -3 4 5 86.31 1.02 1.1271 4 1 4 86.61 1.13 1.1239 -3 2 6 86.76 2.11 1.1224 5 2 2 88.13 1.57 1.1085 -5 2 4 88.81 1.17 1.1018 2 1 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.