Cl4 I K Mooney R Zeitschrift fur Kristallographie 98 (1938) 377-393 The Configuration of the Pentahalogen Anion Group from the X-ray Structure Determination of Potassium Tetra-Chloroiodide Crystals _cod_database_code 1010442 _database_code_amcsd 0017363 CELL PARAMETERS: 13.0900 14.1800 4.2000 90.000 95.116 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 776.482 Density (g/cm3): 2.633 MAX. ABS. INTENSITY / VOLUME**2: 16.59790426 RIR: 2.053 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.21 26.32 9.5976 1 1 0 4 12.48 100.00 7.0900 0 2 0 2 13.58 92.74 6.5189 2 0 0 2 14.22 71.73 6.2286 1 2 0 4 14.96 39.82 5.9230 2 1 0 4 18.49 21.17 4.7988 2 2 0 4 21.38 26.40 4.1552 3 1 0 4 21.72 30.36 4.0908 -1 0 1 2 22.16 94.46 4.0123 0 1 1 4 22.62 34.40 3.9305 -1 1 1 4 23.24 3.95 3.8266 2 3 0 4 24.02 16.11 3.7053 3 2 0 4 24.71 1.90 3.6029 0 2 1 4 25.05 75.36 3.5554 -2 1 1 4 25.12 2.12 3.5450 0 4 0 2 25.13 1.81 3.5433 -1 2 1 4 26.05 27.94 3.4208 1 4 0 4 26.16 1.67 3.4062 1 2 1 4 27.07 27.76 3.2935 2 1 1 4 27.35 3.23 3.2611 -2 2 1 4 27.36 4.24 3.2595 4 0 0 2 28.26 44.29 3.1579 -3 0 1 2 28.49 8.93 3.1326 0 3 1 4 28.66 4.94 3.1143 2 4 0 4 28.86 49.09 3.0932 -1 3 1 4 30.83 15.87 2.9001 -2 3 1 4 30.96 2.13 2.8880 3 0 1 2 31.00 1.21 2.8847 -3 2 1 4 31.62 3.12 2.8299 3 1 1 4 32.30 8.65 2.7712 1 5 0 4 32.53 2.16 2.7527 2 3 1 4 33.12 5.52 2.7045 0 4 1 4 33.45 1.42 2.6790 -1 4 1 4 33.50 24.46 2.6746 3 2 1 4 33.92 2.31 2.6429 -4 1 1 4 34.15 5.73 2.6258 -3 3 1 4 34.25 8.07 2.6183 1 4 1 4 34.99 52.86 2.5646 5 1 0 4 35.18 3.89 2.5507 -2 4 1 4 35.70 1.43 2.5151 -4 2 1 4 36.46 2.24 2.4644 3 3 1 4 36.70 3.08 2.4486 2 4 1 4 36.99 5.76 2.4302 4 1 1 4 37.88 1.43 2.3750 3 5 0 4 38.08 6.74 2.3633 0 6 0 2 38.17 4.05 2.3580 -3 4 1 4 38.34 6.87 2.3474 0 5 1 4 38.63 6.25 2.3307 -1 5 1 4 38.65 9.15 2.3297 4 2 1 4 38.72 20.01 2.3254 1 6 0 4 39.04 3.31 2.3072 -5 0 1 2 39.34 9.08 2.2904 1 5 1 4 40.17 3.87 2.2447 -2 5 1 4 40.60 8.71 2.2218 2 6 0 4 41.14 2.97 2.1939 -5 2 1 4 41.54 2.36 2.1742 2 5 1 4 42.07 7.85 2.1479 6 1 0 4 42.24 11.84 2.1395 4 5 0 4 42.45 17.24 2.1293 5 0 1 2 42.86 7.99 2.1100 -3 5 1 4 42.95 3.09 2.1057 5 1 1 4 43.56 1.60 2.0776 6 2 0 4 43.59 2.17 2.0762 3 6 0 4 43.66 2.02 2.0733 -5 3 1 4 43.68 3.73 2.0722 -1 1 2 4 44.01 2.77 2.0577 0 6 1 4 44.28 8.22 2.0454 -2 0 2 2 44.42 14.61 2.0393 5 2 1 4 44.76 9.20 2.0248 4 4 1 4 44.79 2.42 2.0235 3 5 1 4 45.20 5.78 2.0062 0 2 2 4 45.30 6.00 2.0017 1 7 0 4 45.65 3.41 1.9874 -2 6 1 4 45.75 2.30 1.9831 -6 1 1 4 45.97 8.34 1.9743 6 3 0 4 46.19 7.00 1.9652 -2 2 2 4 46.38 1.65 1.9578 1 2 2 4 46.78 4.03 1.9419 2 0 2 2 46.94 10.16 1.9357 -3 1 2 4 47.15 6.53 1.9274 -6 2 1 4 47.36 1.38 1.9195 5 5 0 4 47.52 3.93 1.9133 4 6 0 4 48.09 5.60 1.8921 -3 6 1 4 48.31 1.55 1.8838 -3 2 2 4 48.61 7.08 1.8729 2 2 2 4 49.35 8.95 1.8467 7 1 0 4 49.65 6.68 1.8361 3 7 0 4 49.86 3.84 1.8290 3 6 1 4 50.03 11.86 1.8232 0 7 1 4 50.09 1.07 1.8212 -4 1 2 4 50.26 1.69 1.8153 -1 7 1 4 50.50 10.15 1.8074 3 1 2 4 50.54 2.89 1.8058 -3 3 2 4 50.62 6.53 1.8034 -1 4 2 4 50.83 1.36 1.7962 2 3 2 4 50.84 1.28 1.7961 1 7 1 4 51.40 2.92 1.7777 -4 2 2 4 51.47 2.49 1.7755 -4 6 1 4 51.52 5.84 1.7738 -2 7 1 4 51.56 3.97 1.7725 0 8 0 2 51.59 2.28 1.7716 -2 4 2 4 51.76 1.78 1.7662 1 4 2 4 51.93 7.98 1.7609 -7 0 1 2 52.48 2.40 1.7437 -6 4 1 4 52.65 4.36 1.7384 2 7 1 4 52.83 2.10 1.7329 7 3 0 4 53.10 5.98 1.7249 6 5 0 4 53.24 1.47 1.7205 4 7 0 4 53.54 4.88 1.7117 -4 3 2 4 53.55 8.10 1.7113 -3 4 2 4 53.58 6.73 1.7104 2 8 0 4 53.63 3.90 1.7089 -7 2 1 4 53.71 1.40 1.7065 4 6 1 4 53.76 1.50 1.7051 -3 7 1 4 54.09 2.87 1.6954 -5 1 2 4 54.17 1.94 1.6931 4 0 2 2 55.38 1.56 1.6589 -2 5 2 4 55.68 5.64 1.6509 -5 6 1 4 55.78 5.50 1.6482 6 4 1 4 55.79 1.74 1.6478 7 0 1 2 55.83 1.88 1.6468 4 2 2 4 56.38 1.60 1.6320 0 8 1 4 56.46 2.00 1.6297 8 0 0 2 56.81 4.56 1.6207 3 4 2 4 56.87 1.31 1.6191 8 1 0 4 57.25 2.71 1.6091 -3 5 2 4 57.41 1.10 1.6050 7 2 1 4 57.52 3.31 1.6023 2 5 2 4 57.62 6.00 1.5997 5 7 0 4 57.75 1.40 1.5963 -2 8 1 4 57.85 4.93 1.5939 4 3 2 4 58.33 4.36 1.5819 5 6 1 4 58.80 1.06 1.5704 2 8 1 4 58.97 3.83 1.5663 0 6 2 4 59.00 3.83 1.5655 4 7 1 4 59.35 1.06 1.5572 4 8 0 4 59.35 4.71 1.5571 -8 1 1 4 59.39 2.21 1.5563 6 5 1 4 59.42 2.15 1.5555 5 1 2 4 59.80 1.57 1.5466 -2 6 2 4 59.84 3.03 1.5457 -3 8 1 4 60.38 1.41 1.5331 3 5 2 4 60.60 1.58 1.5279 -6 6 1 4 61.37 2.43 1.5107 3 8 1 4 61.84 4.22 1.5004 2 6 2 4 62.04 1.73 1.4960 -7 5 1 4 62.52 1.50 1.4856 5 3 2 4 62.73 1.51 1.4812 3 9 0 4 62.75 1.08 1.4807 8 4 0 4 63.05 1.93 1.4744 0 9 1 4 63.46 2.15 1.4659 5 8 0 4 63.60 1.63 1.4629 -5 5 2 4 63.63 1.80 1.4624 6 6 1 4 64.05 1.12 1.4537 4 5 2 4 64.27 1.75 1.4494 -7 1 2 4 64.34 1.42 1.4479 -2 9 1 4 64.77 1.09 1.4394 4 8 1 4 64.77 1.03 1.4393 -2 7 2 4 65.10 3.92 1.4329 -8 4 1 4 65.32 2.33 1.4285 2 9 1 4 66.13 1.06 1.4130 8 5 0 4 66.18 2.01 1.4120 -7 6 1 4 66.41 1.06 1.4078 8 3 1 4 66.48 3.16 1.4064 -3 7 2 4 66.52 4.10 1.4056 -5 8 1 4 66.75 1.15 1.4014 -9 1 1 4 67.49 3.00 1.3877 0 1 3 4 67.95 1.55 1.3795 -6 5 2 4 68.43 5.09 1.3711 7 7 0 4 68.48 1.94 1.3701 5 5 2 4 68.93 2.33 1.3623 5 8 1 4 69.09 1.68 1.3595 -4 9 1 4 69.22 1.13 1.3573 -3 1 3 4 69.51 2.74 1.3523 0 8 2 4 69.74 1.47 1.3485 5 9 0 4 70.14 1.10 1.3417 8 6 0 4 70.27 1.09 1.3395 -2 8 2 4 70.30 2.28 1.3391 -3 2 3 4 70.64 3.26 1.3334 2 1 3 4 71.01 1.30 1.3273 7 1 2 4 71.38 1.36 1.3215 -8 2 2 4 71.53 2.14 1.3191 1 3 3 4 71.71 1.48 1.3161 2 2 3 4 72.09 1.48 1.3102 -3 3 3 4 72.15 1.52 1.3091 2 8 2 4 72.37 1.55 1.3057 -8 6 1 4 72.38 1.53 1.3056 -5 7 2 4 72.50 1.01 1.3038 10 0 0 2 73.10 1.38 1.2946 3 0 3 2 73.16 3.07 1.2937 -8 3 2 4 73.49 1.11 1.2886 2 3 3 4 74.21 2.06 1.2779 -5 0 3 2 75.61 1.90 1.2577 -5 2 3 4 75.78 1.06 1.2552 -1 5 3 4 76.21 1.46 1.2492 -7 8 1 4 76.77 2.99 1.2415 -4 4 3 4 76.94 2.00 1.2392 -8 7 1 4 77.00 2.19 1.2384 5 7 2 4 77.16 1.28 1.2362 1 5 3 4 77.66 1.03 1.2295 -1 11 1 4 78.12 1.06 1.2235 1 11 1 4 79.16 3.44 1.2099 10 1 1 4 79.40 1.57 1.2068 7 8 1 4 79.43 1.11 1.2065 7 5 2 4 80.48 1.03 1.1934 8 3 2 4 80.61 1.01 1.1918 3 9 2 4 82.07 1.04 1.1742 -1 10 2 4 82.11 1.00 1.1738 -9 4 2 4 82.52 1.35 1.1690 11 2 0 4 82.97 1.04 1.1638 1 10 2 4 83.23 1.16 1.1608 9 6 1 4 83.48 1.54 1.1580 -5 9 2 4 83.55 1.27 1.1572 -6 4 3 4 83.87 1.20 1.1536 -10 0 2 2 84.58 1.13 1.1456 -2 7 3 4 85.08 1.75 1.1403 3 12 0 4 87.26 1.29 1.1172 2 7 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.