Cs5Mo21Se23 Gougeon P, Potel M, Sergent M Acta Crystallographica C46 (1990) 2284-2287 Structure of Cs5Mo21Se23 containing Mo21 clusters _database_code_amcsd 0010213 CELL PARAMETERS: 9.6513 9.6513 29.9390 90.000 90.000 120.000 SPACE GROUP: P6_3/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 2415.125 Density (g/cm3): 6.181 MAX. ABS. INTENSITY / VOLUME**2: 106.3476610 RIR: 5.603 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 5.90 3.87 14.9695 0 0 2 2 10.58 52.35 8.3583 1 0 0 6 10.99 100.00 8.0504 1 0 1 12 13.82 6.56 6.4078 1 0 3 12 18.23 4.61 4.8676 1 0 5 12 18.39 9.48 4.8257 1 1 0 6 20.73 12.32 4.2844 1 0 6 12 21.26 1.74 4.1791 2 0 0 6 21.47 6.76 4.1390 2 0 1 12 23.07 1.03 3.8548 2 0 3 12 27.85 12.35 3.2039 2 0 6 12 27.87 21.07 3.2008 1 1 7 12 28.25 1.23 3.1591 2 1 0 6 28.25 5.39 3.1591 1 2 0 6 28.41 19.47 3.1417 1 2 1 12 28.41 2.42 3.1417 2 1 1 12 29.66 2.04 3.0118 1 2 3 12 29.89 5.60 2.9891 2 0 7 12 32.11 2.68 2.7879 2 0 8 12 32.13 21.34 2.7861 3 0 0 6 33.58 23.83 2.6692 1 2 6 12 34.66 2.97 2.5880 1 0 11 12 35.32 12.86 2.5411 1 2 7 12 36.00 7.21 2.4949 0 0 12 2 36.93 1.22 2.4338 2 0 10 12 37.25 4.57 2.4140 1 2 8 12 37.27 3.94 2.4128 2 2 0 6 38.57 2.78 2.3345 3 0 7 12 38.85 7.78 2.3182 1 3 0 6 38.97 10.21 2.3112 1 3 1 12 39.33 1.22 2.2909 1 3 2 12 39.93 1.29 2.2580 1 3 3 12 40.30 1.54 2.2380 2 2 5 12 40.63 14.27 2.2203 1 0 13 12 40.71 1.05 2.2162 1 1 12 12 40.75 2.26 2.2144 1 3 4 12 41.56 1.28 2.1731 1 2 10 12 42.26 20.74 2.1385 0 0 14 2 43.02 14.89 2.1024 1 3 6 12 43.02 7.39 2.1024 3 1 6 12 43.04 63.60 2.1015 2 2 7 12 43.69 2.18 2.0718 1 0 14 12 44.45 3.84 2.0381 1 3 7 12 44.45 2.45 2.0381 3 1 7 12 46.06 2.08 1.9707 1 3 8 12 46.06 1.60 1.9707 3 1 8 12 46.37 1.30 1.9580 1 2 12 12 46.50 1.80 1.9531 2 2 9 12 47.15 1.93 1.9274 4 0 6 12 47.41 1.80 1.9175 3 2 0 6 47.51 4.39 1.9136 2 3 1 12 47.51 4.22 1.9136 3 2 1 12 48.66 1.41 1.8712 0 0 16 2 48.94 7.40 1.8610 1 2 13 12 49.01 1.36 1.8586 3 0 12 12 49.04 1.32 1.8575 2 3 4 12 50.01 1.24 1.8239 4 1 0 6 51.02 21.39 1.7899 2 3 6 12 51.61 1.55 1.7709 1 2 14 12 52.28 11.40 1.7497 2 3 7 12 53.71 4.99 1.7065 2 3 8 12 54.06 5.32 1.6964 3 0 14 12 56.31 4.15 1.6338 1 3 13 12 57.04 1.50 1.6147 2 3 10 12 57.27 1.83 1.6086 3 3 0 6 57.59 2.15 1.6004 2 2 14 12 58.20 3.60 1.5851 5 0 6 12 58.74 2.14 1.5718 1 3 14 12 59.36 1.83 1.5570 5 0 7 12 60.94 1.26 1.5204 2 3 12 12 61.80 1.14 1.5012 5 1 0 6 61.89 2.24 1.4993 5 1 1 12 63.09 2.23 1.4736 3 2 13 12 63.09 3.76 1.4736 2 3 13 12 64.86 1.11 1.4375 5 1 6 12 67.20 9.39 1.3930 6 0 0 6 69.48 2.18 1.3528 1 2 20 12 70.34 3.78 1.3384 5 2 0 6 71.51 4.39 1.3193 2 2 19 12 74.43 2.11 1.2746 6 1 0 6 74.51 4.39 1.2735 6 1 1 12 75.61 3.59 1.2576 5 1 13 12 75.62 5.08 1.2575 1 3 20 12 75.62 1.10 1.2575 3 1 20 12 77.82 4.32 1.2274 2 2 21 12 78.67 1.66 1.2163 6 0 12 12 81.59 5.55 1.1800 2 3 20 12 82.67 5.95 1.1672 6 0 14 12 83.19 1.97 1.1613 3 5 6 12 84.06 1.77 1.1515 0 0 26 2 84.18 1.19 1.1501 3 5 7 12 85.61 2.35 1.1345 5 2 14 12 87.46 7.49 1.1152 6 1 13 12 89.07 1.76 1.0992 1 0 27 12 89.51 1.88 1.0949 6 1 14 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.