Cl5 D2 Fe K2 O Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D Journal of Physics: Condensed Matter 7 (1995) 4725-4738 Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) _cod_database_code 1006100 _database_code_amcsd 0013273 CELL PARAMETERS: 13.4653 9.6132 6.9836 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 903.989 Density (g/cm3): 2.419 MAX. ABS. INTENSITY / VOLUME**2: 7.578826526 RIR: 1.020 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.15 1.03 6.7326 2 0 0 2 15.68 100.00 5.6501 0 1 1 4 16.07 84.48 5.5147 2 1 0 4 17.02 6.57 5.2100 1 1 1 8 18.30 36.10 4.8470 2 0 1 4 18.46 7.19 4.8066 0 2 0 2 20.52 1.63 4.3280 2 1 1 8 23.42 1.96 3.7986 1 2 1 8 25.34 1.06 3.5145 3 1 1 8 25.51 3.18 3.4918 0 0 2 2 26.11 20.69 3.4130 2 2 1 8 26.37 13.80 3.3800 1 0 2 4 26.48 13.05 3.3663 4 0 0 2 29.46 29.10 3.0324 4 0 1 4 30.10 44.15 2.9692 3 2 1 8 30.30 10.53 2.9501 2 1 2 8 30.70 11.44 2.9124 0 3 1 4 30.91 17.58 2.8934 2 3 0 4 30.92 9.21 2.8919 4 1 1 8 31.67 28.62 2.8250 0 2 2 4 32.38 97.52 2.7648 1 2 2 8 32.47 96.90 2.7573 4 2 0 4 32.49 76.46 2.7560 3 0 2 4 33.83 1.11 2.6493 3 1 2 8 34.43 3.22 2.6050 2 2 2 8 34.99 5.91 2.5647 4 2 1 8 35.73 1.83 2.5127 5 0 1 4 36.98 4.26 2.4310 5 1 1 8 37.10 54.25 2.4235 4 0 2 4 37.42 95.70 2.4033 0 4 0 2 38.30 2.08 2.3500 4 1 2 8 39.28 5.12 2.2938 1 0 3 4 40.43 1.30 2.2312 1 1 3 8 40.49 3.74 2.2279 2 3 2 8 40.98 1.80 2.2025 4 3 1 8 41.02 12.89 2.2001 2 0 3 4 41.74 7.74 2.1640 4 2 2 8 41.96 7.01 2.1532 2 4 1 8 42.13 1.31 2.1446 2 1 3 8 42.30 5.72 2.1366 6 0 1 4 42.39 28.29 2.1325 5 0 2 4 43.30 1.06 2.0895 3 3 2 8 43.38 1.34 2.0857 6 1 1 8 43.47 10.31 2.0819 5 1 2 8 43.73 3.86 2.0702 1 2 3 8 44.86 9.36 2.0203 3 1 3 8 45.84 1.51 1.9797 0 4 2 4 45.89 1.11 1.9773 5 3 1 8 46.36 4.62 1.9587 1 4 2 8 46.42 5.20 1.9560 4 4 0 4 46.51 7.38 1.9524 6 2 1 8 47.92 4.60 1.8985 3 2 3 8 48.20 3.40 1.8879 6 0 2 4 48.32 10.92 1.8835 4 4 1 8 48.48 5.69 1.8778 4 1 3 8 49.13 5.87 1.8545 7 0 1 4 49.15 5.91 1.8537 0 5 1 4 49.18 5.40 1.8525 6 1 2 8 49.29 3.59 1.8487 2 5 0 4 50.38 33.79 1.8113 3 4 2 8 51.47 5.06 1.7753 5 3 2 8 51.92 4.55 1.7611 5 0 3 4 52.41 1.34 1.7459 0 0 4 2 52.70 1.19 1.7368 5 4 1 8 52.71 3.82 1.7367 3 3 3 8 52.85 1.27 1.7323 5 1 3 8 52.88 12.96 1.7314 1 0 4 4 53.71 28.80 1.7065 4 4 2 8 53.80 5.22 1.7040 1 1 4 8 54.28 4.75 1.6900 2 0 4 4 54.52 10.95 1.6832 8 0 0 2 55.37 3.67 1.6593 1 4 3 8 55.42 1.89 1.6579 8 1 0 4 55.94 3.64 1.6436 4 3 3 8 56.04 2.20 1.6410 0 2 4 4 56.22 5.49 1.6363 8 0 1 4 56.31 1.61 1.6339 2 5 2 8 56.56 3.35 1.6271 3 0 4 4 56.58 3.25 1.6266 6 3 2 8 56.69 2.41 1.6238 4 5 1 8 56.73 8.18 1.6228 2 4 3 8 57.10 5.72 1.6131 8 1 1 8 57.74 4.17 1.5968 6 4 1 8 57.80 18.24 1.5951 5 4 2 8 57.83 3.24 1.5943 2 2 4 8 58.01 1.26 1.5900 7 2 2 8 58.06 1.53 1.5886 8 2 0 4 59.69 6.37 1.5490 8 2 1 8 60.03 2.68 1.5412 3 2 4 8 60.45 1.01 1.5315 6 2 3 8 60.81 2.96 1.5233 1 3 4 8 60.90 1.40 1.5212 2 6 1 8 62.57 2.54 1.4846 6 4 2 8 63.02 3.65 1.4751 4 2 4 8 63.03 3.68 1.4749 3 6 1 8 63.35 4.54 1.4682 7 4 1 8 63.60 1.40 1.4629 9 0 1 4 63.88 3.13 1.4573 8 3 1 8 63.93 1.94 1.4562 0 6 2 4 64.35 7.95 1.4478 1 6 2 8 64.40 7.44 1.4467 4 6 0 4 64.42 1.00 1.4463 9 1 1 8 65.35 2.68 1.4280 5 5 2 8 65.73 3.73 1.4205 5 4 3 8 65.92 5.83 1.4170 7 2 3 8 66.16 1.10 1.4125 0 4 4 4 66.42 2.90 1.4076 3 5 3 8 66.57 11.11 1.4048 1 4 4 8 66.75 1.25 1.4013 5 2 4 8 67.41 1.98 1.3893 1 0 5 4 67.79 4.02 1.3824 2 4 4 8 68.00 9.59 1.3787 8 4 0 4 69.25 1.55 1.3567 4 5 3 8 69.41 1.72 1.3540 2 1 5 8 69.50 4.91 1.3526 8 4 1 8 69.80 3.15 1.3474 3 4 4 8 69.82 1.81 1.3471 6 5 2 8 69.91 1.23 1.3456 2 7 0 4 70.45 1.15 1.3365 4 6 2 8 70.64 1.48 1.3335 10 1 0 4 71.18 4.40 1.3246 6 2 4 8 71.33 2.02 1.3222 9 2 2 8 71.76 1.07 1.3154 2 2 5 8 71.96 1.20 1.3122 8 2 3 8 73.21 3.06 1.2928 7 0 4 4 73.62 1.79 1.2866 1 5 4 8 73.94 1.30 1.2818 6 6 1 8 75.54 3.36 1.2586 9 0 3 4 75.60 1.26 1.2578 2 3 5 8 76.18 1.45 1.2496 9 4 1 8 76.44 2.37 1.2461 8 5 1 8 76.45 1.15 1.2460 4 2 5 8 76.78 1.16 1.2414 10 3 0 4 76.89 3.12 1.2399 5 0 5 4 79.73 2.16 1.2028 1 4 5 8 79.82 6.23 1.2017 0 8 0 2 82.48 2.45 1.1695 11 2 1 8 84.66 1.80 1.1448 8 6 1 8 85.24 3.73 1.1385 7 4 4 8 85.92 1.12 1.1312 0 2 6 4 86.21 2.48 1.1282 9 1 4 8 86.30 1.03 1.1273 1 2 6 8 86.75 1.71 1.1225 7 1 5 8 87.27 1.32 1.1171 4 8 1 8 87.49 4.28 1.1150 9 4 3 8 87.59 1.16 1.1140 4 6 4 8 88.19 2.79 1.1079 12 0 1 4 88.80 4.13 1.1019 5 4 5 8 88.83 4.74 1.1015 3 8 2 8 88.98 1.84 1.1000 4 0 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.