Kremersite Figgis B N, Raston C L, Sharma R P, White A H Australian Journal of Chemistry 31 (1978) 2717-2720 Crystal structure of diammonium aquapentachloroferrate(III) Locality: synthetic _database_code_amcsd 0012057 CELL PARAMETERS: 13.7060 9.9240 7.0240 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 955.393 Density (g/cm3): 1.996 MAX. ABS. INTENSITY / VOLUME**2: 7.448156669 RIR: 1.215 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.17 7.96 6.2510 1 0 1 4 15.46 95.44 5.7333 0 1 1 4 15.71 100.00 5.6391 2 1 0 4 16.76 7.39 5.2892 1 1 1 8 17.88 32.34 4.9620 0 2 0 2 18.08 72.64 4.9051 2 0 1 4 20.19 1.88 4.3973 2 1 1 8 22.12 2.36 4.0191 2 2 0 4 23.23 8.93 3.8298 3 0 1 4 24.92 1.85 3.5730 3 1 1 8 25.54 4.05 3.4884 2 2 1 8 26.00 2.88 3.4265 4 0 0 2 26.19 2.88 3.4021 1 0 2 4 28.99 15.10 3.0796 4 0 1 4 29.46 14.07 3.0318 3 2 1 8 29.86 10.76 2.9927 0 3 1 4 29.97 8.28 2.9811 2 1 2 8 30.00 11.00 2.9791 2 3 0 4 30.39 8.92 2.9412 4 1 1 8 31.20 25.85 2.8666 0 2 2 4 31.74 62.02 2.8196 4 2 0 4 31.89 45.86 2.8059 1 2 2 8 32.15 63.92 2.7844 3 0 2 4 33.42 4.57 2.6809 3 1 2 8 33.90 1.69 2.6446 2 2 2 8 34.27 1.75 2.6166 4 2 1 8 35.14 2.90 2.5536 5 0 1 4 36.21 70.72 2.4810 0 4 0 2 36.33 2.73 2.4731 5 1 1 8 36.64 48.36 2.4526 4 0 2 4 37.02 2.24 2.4282 3 2 2 8 37.78 1.64 2.3809 4 1 2 8 39.03 8.68 2.3079 1 0 3 4 39.45 1.95 2.2843 6 0 0 2 39.67 2.09 2.2718 2 3 2 8 40.00 1.59 2.2540 4 3 1 8 40.11 1.19 2.2479 1 1 3 8 40.72 2.98 2.2156 2 0 3 4 40.76 17.89 2.2139 2 4 1 8 41.05 10.48 2.1987 4 2 2 8 41.57 8.40 2.1723 6 0 1 4 41.77 1.06 2.1624 2 1 3 8 41.80 12.61 2.1609 5 0 2 4 42.43 1.21 2.1302 3 3 2 8 42.60 1.24 2.1221 6 1 1 8 42.83 14.23 2.1114 5 1 2 8 43.46 3.83 2.0823 3 4 1 8 44.43 9.35 2.0392 3 1 3 8 44.84 1.16 2.0214 5 3 1 8 45.59 2.30 1.9900 6 2 1 8 45.80 3.29 1.9812 5 2 2 8 47.03 5.91 1.9320 4 4 1 8 47.48 2.55 1.9149 6 0 2 4 47.61 6.35 1.9100 0 5 1 4 47.70 6.74 1.9065 2 5 0 4 47.94 4.74 1.8975 4 1 3 8 48.25 1.61 1.8861 7 0 1 4 48.41 5.88 1.8802 6 1 2 8 49.19 27.43 1.8523 3 4 2 8 50.44 5.24 1.8091 5 3 2 8 51.32 6.38 1.7803 5 0 3 4 51.35 2.15 1.7795 5 4 1 8 51.86 3.14 1.7631 3 3 3 8 52.20 1.51 1.7523 5 1 3 8 52.46 25.55 1.7442 4 4 2 8 52.54 11.17 1.7418 1 0 4 4 53.41 7.37 1.7155 1 1 4 8 53.48 9.46 1.7133 8 0 0 2 53.59 1.63 1.7102 7 0 2 4 53.90 1.92 1.7010 2 0 4 4 54.29 6.51 1.6898 1 4 3 8 54.34 1.69 1.6883 8 1 0 4 54.61 1.27 1.6805 6 4 0 4 54.79 1.96 1.6755 2 5 2 8 55.02 2.50 1.6690 4 3 3 8 55.04 2.61 1.6683 4 5 1 8 55.18 2.38 1.6645 8 0 1 4 55.44 3.05 1.6573 6 3 2 8 55.56 1.66 1.6540 0 6 0 2 55.61 1.90 1.6526 2 4 3 8 55.95 1.32 1.6435 1 2 4 8 56.02 5.22 1.6415 8 1 1 8 56.11 2.27 1.6391 3 0 4 4 56.29 6.44 1.6344 6 4 1 8 56.47 8.36 1.6295 5 4 2 8 56.85 3.29 1.6194 8 2 0 4 56.95 2.40 1.6168 7 2 2 8 57.25 3.17 1.6091 2 2 4 8 58.49 2.28 1.5780 8 2 1 8 59.38 2.66 1.5564 3 2 4 8 60.03 3.44 1.5412 1 3 4 8 61.02 1.30 1.5184 3 6 1 8 61.14 1.80 1.5159 6 4 2 8 61.79 1.38 1.5015 7 4 1 8 62.02 1.60 1.4964 0 6 2 4 62.34 4.10 1.4895 4 6 0 4 62.43 3.35 1.4875 1 6 2 8 62.46 2.84 1.4868 8 3 1 8 63.66 4.59 1.4618 5 5 2 8 64.41 5.50 1.4464 5 4 3 8 64.86 2.03 1.4376 7 2 3 8 64.88 3.63 1.4371 3 5 3 8 65.47 9.71 1.4255 1 4 4 8 66.30 8.11 1.4098 8 4 0 4 66.39 1.29 1.4081 7 4 2 8 66.66 1.67 1.4030 2 4 4 8 66.96 1.60 1.3975 1 0 5 4 67.65 1.60 1.3848 4 5 3 8 67.71 1.18 1.3838 1 1 5 8 67.80 2.26 1.3822 8 4 1 8 68.03 2.29 1.3781 6 5 2 8 68.41 1.84 1.3713 4 6 2 8 68.62 2.02 1.3676 3 4 4 8 68.88 1.25 1.3631 2 1 5 8 69.19 1.94 1.3577 10 1 0 4 72.15 3.17 1.3092 1 5 4 8 72.27 3.62 1.3073 7 0 4 4 74.30 1.99 1.2766 9 0 3 4 74.32 1.07 1.2763 9 4 1 8 74.38 2.33 1.2754 8 5 1 8 74.71 1.10 1.2706 2 3 5 8 75.01 1.34 1.2662 10 3 0 4 76.14 1.42 1.2502 5 0 5 4 76.85 4.41 1.2405 0 8 0 2 78.56 1.73 1.2176 1 4 5 8 79.74 1.73 1.2026 2 8 1 8 80.68 1.32 1.1910 11 2 1 8 80.76 1.03 1.1899 8 6 0 4 82.07 1.09 1.1743 11 0 2 4 83.61 4.25 1.1565 7 4 4 8 84.84 3.20 1.1428 9 1 4 8 85.55 2.62 1.1351 9 4 3 8 85.67 1.39 1.1339 7 1 5 8 85.74 3.73 1.1331 3 8 2 8 86.24 1.10 1.1278 10 5 0 4 86.29 1.51 1.1274 12 0 1 4 87.34 1.85 1.1165 5 4 5 8 88.20 2.31 1.1078 4 0 6 4 88.28 3.93 1.1070 4 8 2 8 89.69 1.06 1.0932 11 1 3 8 89.75 1.20 1.0927 1 8 3 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.