Julienite Mereiter K, Preisinger A Acta Crystallographica B38 (1982) 1084-1088 The structure of sodium tetraisothiocyanatocobaltate(II) octahydrate Na2[Co(NCS)4]*8H2O Locality: synthetic _database_code_amcsd 0009760 CELL PARAMETERS: 18.9410 19.2090 5.4600 90.000 91.640 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 1985.740 Density (g/cm3): 1.668 MAX. ABS. INTENSITY / VOLUME**2: 3.052090439 RIR: 0.596 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.21 11.90 9.6045 0 2 0 2 9.34 7.55 9.4666 2 0 0 2 13.13 100.00 6.7421 2 2 0 4 17.40 1.61 5.0953 -1 1 1 4 17.65 3.85 5.0236 1 1 1 4 18.48 32.73 4.8022 0 4 0 2 18.70 1.44 4.7451 0 2 1 4 18.75 38.73 4.7333 4 0 0 2 19.56 1.35 4.5385 2 1 1 4 21.39 1.33 4.1536 0 3 1 4 21.72 24.96 4.0918 -3 1 1 4 21.81 28.34 4.0757 -1 3 1 4 22.01 13.82 4.0388 1 3 1 4 22.32 17.56 3.9825 3 1 1 4 23.17 1.29 3.8389 -3 2 1 4 23.58 1.19 3.7735 2 3 1 4 23.63 4.94 3.7651 1 5 0 4 23.95 5.29 3.7152 5 1 0 4 25.06 3.67 3.5540 -1 4 1 4 25.23 2.71 3.5294 1 4 1 4 25.41 83.09 3.5048 -3 3 1 4 25.94 78.38 3.4354 3 3 1 4 26.26 6.33 3.3936 -4 2 1 4 26.28 14.49 3.3906 -2 4 1 4 26.62 21.54 3.3482 2 4 1 4 26.93 27.36 3.3102 4 2 1 4 27.87 52.28 3.2015 0 6 0 2 28.27 2.75 3.1567 1 6 0 4 28.27 7.81 3.1563 -3 4 1 4 28.28 1.61 3.1563 -4 3 1 4 28.28 51.14 3.1555 6 0 0 2 28.30 3.97 3.1537 -5 0 1 2 28.67 2.92 3.1138 6 1 0 4 28.69 2.47 3.1121 -5 1 1 4 28.75 19.06 3.1053 3 4 1 4 28.89 1.41 3.0910 1 5 1 4 28.91 7.39 3.0888 4 3 1 4 29.08 2.46 3.0703 5 0 1 2 29.45 4.18 3.0328 2 6 0 4 29.80 2.51 2.9979 6 2 0 4 29.82 14.70 2.9963 -5 2 1 4 30.12 1.66 2.9671 2 5 1 4 30.57 8.95 2.9245 5 2 1 4 30.89 4.97 2.8946 -4 4 1 4 31.48 3.16 2.8423 4 4 1 4 31.60 33.07 2.8310 -3 5 1 4 31.62 41.11 2.8292 -5 3 1 4 32.03 17.59 2.7941 3 5 1 4 32.34 23.74 2.7685 5 3 1 4 32.70 14.54 2.7382 -1 6 1 4 32.82 6.89 2.7289 0 0 2 2 32.84 5.52 2.7269 1 6 1 4 32.98 14.04 2.7158 1 7 0 4 33.46 7.43 2.6783 7 1 0 4 33.68 1.38 2.6614 -2 6 1 4 33.72 1.43 2.6583 -6 2 1 4 33.99 6.69 2.6376 -4 5 1 4 33.99 1.91 2.6372 6 4 0 4 34.01 1.25 2.6361 -5 4 1 4 34.16 1.13 2.6250 0 2 2 4 34.36 1.15 2.6099 -1 2 2 4 34.45 1.49 2.6035 7 2 0 4 34.46 5.76 2.6024 2 0 2 2 34.52 3.57 2.5979 6 2 1 4 34.53 2.62 2.5978 4 5 1 4 34.68 9.17 2.5868 5 4 1 4 35.68 1.68 2.5165 3 6 1 4 35.75 2.89 2.5118 2 2 2 4 35.77 16.06 2.5104 0 3 2 4 35.78 4.09 2.5096 -3 1 2 4 36.55 1.84 2.4587 3 1 2 4 36.66 1.17 2.4515 -7 0 1 2 36.80 1.62 2.4425 -2 3 2 4 36.87 17.08 2.4376 -5 5 1 4 36.91 2.10 2.4354 -1 7 1 4 36.96 3.21 2.4318 -7 1 1 4 37.03 3.86 2.4274 1 7 1 4 37.50 1.37 2.3984 5 5 1 4 37.57 1.76 2.3940 -4 0 2 2 37.83 1.74 2.3779 7 1 1 4 38.11 4.22 2.3614 -1 4 2 4 38.26 1.83 2.3526 6 4 1 4 38.35 1.88 2.3470 1 4 2 4 38.69 1.44 2.3274 2 8 0 4 38.77 1.43 2.3229 -4 2 2 4 38.90 5.14 2.3150 -2 4 2 4 39.38 7.14 2.2880 2 4 2 4 39.61 1.56 2.2755 3 7 1 4 39.72 7.46 2.2693 4 2 2 4 40.12 1.51 2.2474 6 6 0 4 40.14 2.13 2.2467 -5 6 1 4 40.17 2.53 2.2449 -6 5 1 4 40.18 3.00 2.2443 7 3 1 4 40.22 2.60 2.2424 -4 3 2 4 40.60 3.11 2.2220 5 7 0 4 40.72 2.27 2.2160 5 6 1 4 40.72 1.56 2.2156 -1 5 2 4 40.80 3.88 2.2116 7 5 0 4 41.14 2.01 2.1940 4 3 2 4 41.61 1.14 2.1704 5 1 2 4 42.18 4.44 2.1425 -4 4 2 4 42.63 4.59 2.1209 1 9 0 4 43.07 3.07 2.1002 4 4 2 4 43.14 2.07 2.0971 8 2 1 4 43.20 4.77 2.0940 -6 0 2 2 43.26 3.44 2.0912 9 1 0 4 43.58 7.92 2.0768 0 6 2 4 43.73 2.63 2.0702 -5 7 1 4 43.77 1.00 2.0682 3 8 1 4 43.81 7.01 2.0666 -7 5 1 4 43.82 1.09 2.0661 7 6 0 4 43.88 1.16 2.0633 6 6 1 4 43.96 1.69 2.0596 1 6 2 4 44.27 2.77 2.0459 -6 2 2 4 44.46 2.37 2.0379 -2 6 2 4 44.51 2.69 2.0355 6 0 2 2 44.77 2.54 2.0241 6 1 2 4 44.89 3.33 2.0194 2 6 2 4 45.29 1.85 2.0022 -4 8 1 4 45.58 1.51 1.9902 -6 3 2 4 45.71 1.60 1.9847 4 8 1 4 45.85 1.78 1.9790 -1 9 1 4 46.04 1.17 1.9716 -9 1 1 4 46.29 4.75 1.9615 8 4 1 4 46.83 1.45 1.9398 6 3 2 4 46.85 2.35 1.9392 -7 1 2 4 46.97 1.76 1.9345 9 1 1 4 47.11 5.73 1.9289 -1 7 2 4 47.32 1.50 1.9210 1 7 2 4 47.32 5.40 1.9209 0 10 0 2 47.36 1.74 1.9194 -6 4 2 4 47.42 2.13 1.9172 -4 6 2 4 47.59 1.73 1.9108 6 8 0 4 47.60 5.07 1.9104 -5 8 1 4 47.79 2.68 1.9031 8 6 0 4 47.83 3.33 1.9016 -3 9 1 4 48.05 7.10 1.8934 -9 3 1 4 48.06 7.01 1.8933 10 0 0 2 48.11 2.10 1.8914 5 8 1 4 48.14 1.99 1.8903 3 9 1 4 48.28 3.36 1.8850 7 1 2 4 48.58 1.52 1.8741 6 4 2 4 49.95 4.06 1.8259 4 9 1 4 50.32 1.78 1.8133 -6 8 1 4 50.48 1.85 1.8078 -1 1 3 4 50.57 2.84 1.8050 7 7 1 4 50.65 1.78 1.8022 9 4 1 4 50.78 1.95 1.7981 1 1 3 4 51.20 1.22 1.7843 8 6 1 4 51.24 1.45 1.7828 -2 10 1 4 51.33 1.70 1.7799 4 10 0 4 51.44 1.20 1.7765 2 10 1 4 51.52 1.32 1.7738 -10 2 1 4 51.72 2.95 1.7676 -5 9 1 4 51.86 1.28 1.7631 8 0 2 2 52.09 1.08 1.7557 8 1 2 4 52.19 4.33 1.7525 5 9 1 4 52.20 5.89 1.7524 -6 6 2 4 52.77 2.30 1.7348 9 5 1 4 53.33 2.22 1.7177 6 6 2 4 53.47 1.37 1.7138 -8 7 1 4 53.63 1.23 1.7088 10 3 1 4 53.69 1.16 1.7073 3 2 3 4 53.99 3.58 1.6984 -3 3 3 4 54.52 1.54 1.6831 -9 1 2 4 54.59 2.67 1.6812 0 9 2 4 54.84 1.48 1.6741 4 8 2 4 55.28 1.76 1.6619 9 6 1 4 55.52 3.00 1.6551 8 4 2 4 55.62 1.43 1.6523 -5 1 3 4 56.01 2.57 1.6417 -1 5 3 4 56.07 1.14 1.6402 -8 5 2 4 56.29 1.45 1.6343 -5 2 3 4 56.45 1.65 1.6302 7 6 2 4 56.47 1.41 1.6297 10 6 0 4 56.98 1.11 1.6161 5 1 3 4 58.48 1.37 1.5783 2 12 0 4 58.48 1.25 1.5781 -8 6 2 4 58.49 1.16 1.5780 11 3 1 4 58.54 1.31 1.5769 -10 0 2 2 59.36 1.02 1.5569 12 2 0 4 60.46 1.28 1.5311 -10 3 2 4 61.46 2.45 1.5086 1 7 3 4 63.11 2.57 1.4731 1 13 0 4 63.12 1.09 1.4730 6 9 2 4 64.13 1.83 1.4522 13 1 0 4 66.05 1.46 1.4146 -10 6 2 4 66.98 1.62 1.3970 6 10 2 4 67.71 1.47 1.3838 -13 3 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.