Cobaltomenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R110040 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: 6.4990 8.8120 7.6260 90.000 98.850 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: 24.56281695 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.47 100.00 5.7269 0 1 1 16.70 16.87 5.3072 -1 0 1 19.49 8.38 4.5539 1 0 1 19.53 4.56 4.5463 -1 1 1 20.15 12.62 4.4060 0 2 0 21.97 27.43 4.0456 1 1 1 23.39 34.04 3.8035 0 2 1 23.61 5.37 3.7676 0 0 2 25.72 48.82 3.4642 0 1 2 27.47 15.97 3.2469 -1 1 2 28.18 11.39 3.1665 1 2 1 29.61 71.05 3.0168 2 1 0 30.28 15.75 2.9518 -2 1 1 32.72 2.34 2.7370 -1 2 2 32.72 32.18 2.7368 0 3 1 33.55 9.09 2.6712 1 3 0 33.56 2.52 2.6706 2 1 1 33.78 13.55 2.6536 -2 0 2 35.15 18.14 2.5532 -2 2 1 35.80 25.52 2.5084 1 2 2 36.35 8.51 2.4717 -1 0 3 37.22 1.35 2.4155 0 1 3 37.80 24.02 2.3799 -1 1 3 38.05 4.25 2.3646 2 2 1 38.88 1.87 2.3165 0 3 2 39.58 4.60 2.2769 2 0 2 40.11 9.95 2.2480 -1 3 2 40.53 13.43 2.2259 1 0 3 40.97 19.17 2.2030 0 4 0 41.67 6.27 2.1673 2 3 0 41.86 5.97 2.1581 1 1 3 42.17 3.82 2.1428 -2 3 1 43.51 3.82 2.0801 3 1 0 44.53 4.57 2.0347 -1 4 1 44.69 2.62 2.0276 2 3 1 44.81 3.50 2.0228 2 2 2 45.82 6.88 1.9805 3 0 1 47.12 2.23 1.9286 -2 2 3 47.21 2.95 1.9254 3 2 0 47.83 1.48 1.9018 0 4 2 48.11 1.61 1.8912 -1 3 3 48.31 1.03 1.8838 0 0 4 50.14 2.32 1.8195 -3 2 2 50.52 1.05 1.8064 3 2 1 50.66 3.62 1.8020 -2 4 1 51.14 4.27 1.7861 1 4 2 51.67 6.15 1.7691 -3 0 3 52.75 15.40 1.7352 -1 2 4 52.78 2.88 1.7345 -3 1 3 52.85 2.43 1.7322 -2 3 3 52.93 1.46 1.7299 3 3 0 53.40 6.64 1.7157 3 1 2 53.79 4.82 1.7041 1 1 4 54.11 6.82 1.6950 -2 4 2 55.91 3.26 1.6446 -1 4 3 55.94 4.79 1.6436 1 5 1 57.40 5.41 1.6054 4 0 0 57.75 5.69 1.5964 0 5 2 57.80 2.91 1.5951 -4 1 1 58.99 5.83 1.5658 1 4 3 59.87 9.61 1.5450 2 5 0 59.98 4.33 1.5422 -4 1 2 60.22 1.01 1.5368 -2 4 3 60.29 1.35 1.5352 3 4 0 60.86 3.27 1.5220 -4 2 1 60.95 1.53 1.5201 -1 0 5 61.04 2.70 1.5180 3 0 3 61.25 5.02 1.5134 -3 1 4 61.72 7.44 1.5029 3 3 2 61.95 2.12 1.4980 -1 1 5 62.04 5.46 1.4959 3 1 3 62.08 4.78 1.4951 1 3 4 62.53 1.17 1.4855 0 1 5 62.79 1.15 1.4799 -3 4 2 63.12 3.13 1.4728 3 4 1 63.32 2.05 1.4687 0 6 0 64.99 4.88 1.4350 -1 5 3 65.07 1.75 1.4335 -1 4 4 65.77 3.93 1.4198 -4 3 1 66.75 1.22 1.4013 1 1 5 66.94 1.34 1.3978 1 6 1 67.67 2.40 1.3845 -4 2 3 67.83 1.43 1.3817 1 5 3 67.96 2.58 1.3794 -3 4 3 68.99 5.33 1.3613 -3 3 4 70.19 2.32 1.3409 0 3 5 70.69 2.32 1.3325 -3 0 5 70.86 1.23 1.3298 -2 6 1 71.26 1.52 1.3233 1 6 2 72.59 1.28 1.3023 -2 3 5 72.69 1.03 1.3009 2 6 1 72.91 2.90 1.2974 4 4 0 73.73 1.52 1.2850 -2 6 2 75.30 3.27 1.2620 3 2 4 75.74 1.64 1.2559 0 0 6 76.76 1.07 1.2416 0 7 1 77.02 1.82 1.2381 2 2 5 77.31 1.27 1.2342 2 6 2 77.93 1.47 1.2259 1 6 3 81.23 1.45 1.1843 -1 7 2 81.86 1.57 1.1768 5 3 0 82.37 2.31 1.1708 -4 5 2 82.81 1.09 1.1656 -1 3 6 84.09 1.37 1.1511 -1 5 5 84.18 1.77 1.1502 3 5 3 85.08 1.57 1.1402 -3 4 5 86.12 1.03 1.1291 4 1 4 86.46 1.13 1.1256 -3 2 6 86.63 2.11 1.1238 5 2 2 88.03 1.57 1.1095 -5 2 4 88.56 1.18 1.1042 2 1 6 89.92 1.06 1.0910 0 4 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.