Guildite Wan C, Ghose S, Rossman G R American Mineralogist 63 (1978) 478-483 Guildite, a layer structure with a ferric hydroxy-sulphate chain and its optical absorption spectra Note: OW2 y-coordinate changed in order to reproduce OW2 bond lengths Note: O6 z-coordinated change from .433 to .0433 to ensure SO4 group _database_code_amcsd 0000661 CELL PARAMETERS: 9.7860 7.1340 7.2630 90.000 105.280 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 489.130 Density (g/cm3): 2.685 MAX. ABS. INTENSITY / VOLUME**2: 12.78595247 RIR: 1.550 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.37 55.89 9.4401 1 0 0 2 13.61 12.26 6.5061 -1 0 1 2 15.57 2.04 5.6915 1 1 0 4 17.64 19.80 5.0276 1 0 1 2 17.74 100.00 4.9987 0 1 1 4 18.46 39.88 4.8072 -1 1 1 4 18.80 5.51 4.7200 2 0 0 2 19.72 8.14 4.5029 -2 0 1 2 21.62 20.91 4.1096 1 1 1 4 22.59 1.78 3.9364 2 1 0 4 23.36 9.13 3.8078 -2 1 1 4 24.67 40.75 3.6091 -1 0 2 2 24.96 24.20 3.5670 0 2 0 2 25.43 7.20 3.5031 0 0 2 2 26.72 16.33 3.3367 1 2 0 4 27.70 3.88 3.2205 -1 1 2 4 27.85 1.64 3.2033 -3 0 1 2 28.07 21.25 3.1787 0 2 1 4 28.34 9.36 3.1490 2 1 1 4 28.36 59.09 3.1467 3 0 0 2 28.38 6.42 3.1445 0 1 2 4 28.54 17.65 3.1278 -1 2 1 4 29.44 4.64 3.0338 1 0 2 2 30.19 12.25 2.9599 -2 1 2 4 30.59 11.35 2.9222 -3 1 1 4 30.73 16.35 2.9092 1 2 1 4 31.06 12.46 2.8791 3 1 0 4 31.44 3.63 2.8458 2 2 0 4 32.01 8.21 2.7960 -2 2 1 4 34.18 3.41 2.6237 3 0 1 2 35.26 4.98 2.5456 -3 1 2 4 35.72 1.11 2.5138 2 0 2 2 35.90 8.13 2.5016 2 2 1 4 36.49 4.06 2.4624 3 1 1 4 36.84 1.50 2.4395 -4 0 1 2 37.41 3.32 2.4036 -2 2 2 4 37.95 2.79 2.3709 2 1 2 4 38.14 3.94 2.3597 3 2 0 4 38.23 18.09 2.3543 -2 0 3 2 38.55 4.26 2.3354 0 0 3 2 38.97 2.04 2.3110 1 2 2 4 39.02 2.15 2.3082 -4 1 1 4 39.06 3.35 2.3060 1 3 0 4 40.04 2.06 2.2518 0 3 1 4 40.05 3.35 2.2514 -4 0 2 2 40.25 4.74 2.2406 4 1 0 4 40.34 6.07 2.2357 -2 1 3 4 40.38 10.09 2.2335 -1 3 1 4 40.65 4.09 2.2195 0 1 3 4 41.65 5.21 2.1687 -3 0 3 2 41.71 1.98 2.1654 -3 2 2 4 42.57 1.00 2.1237 2 3 0 4 42.79 1.53 2.1135 3 2 1 4 43.01 2.18 2.1028 -2 3 1 4 43.57 13.37 2.0771 4 0 1 2 44.07 1.17 2.0548 2 2 2 4 44.20 2.90 2.0493 1 1 3 4 45.27 7.89 2.0030 -1 2 3 4 45.34 2.67 2.0002 3 1 2 4 46.11 5.66 1.9686 2 3 1 4 46.12 8.70 1.9682 4 2 0 4 46.14 7.59 1.9675 0 3 2 4 46.39 2.48 1.9572 -5 0 1 2 47.63 1.50 1.9094 -3 3 1 4 48.20 1.61 1.8880 5 0 0 2 48.22 1.52 1.8874 -5 1 1 4 50.42 3.29 1.8098 -1 0 4 2 50.58 2.59 1.8046 -2 0 4 2 50.74 1.27 1.7993 3 2 2 4 51.22 12.97 1.7835 0 4 0 2 51.89 2.85 1.7620 3 3 1 4 52.22 1.17 1.7516 0 0 4 2 52.29 1.65 1.7495 -2 1 4 4 53.79 8.15 1.7041 -5 0 3 2 53.84 4.18 1.7028 -4 3 1 4 53.92 1.12 1.7004 -4 2 3 4 54.35 1.26 1.6880 -3 1 4 4 54.60 1.41 1.6809 1 4 1 4 54.66 1.27 1.6792 2 2 3 4 54.78 5.35 1.6759 3 0 3 2 55.03 1.42 1.6687 5 2 0 4 55.12 2.14 1.6662 0 3 3 4 55.18 1.85 1.6645 -5 2 2 4 55.41 1.80 1.6582 -2 4 1 4 55.85 1.15 1.6461 1 0 4 2 57.21 1.77 1.6102 -2 2 4 4 57.51 2.82 1.6024 -3 3 3 4 57.55 1.93 1.6016 -6 0 2 2 57.65 5.29 1.5989 -1 4 2 4 58.03 2.09 1.5894 0 4 2 4 58.63 6.99 1.5745 4 2 2 4 58.68 2.31 1.5733 6 0 0 2 58.72 5.49 1.5722 0 2 4 4 58.93 1.47 1.5672 3 3 2 4 59.12 1.09 1.5627 -6 1 2 4 59.15 7.97 1.5619 -3 2 4 4 59.58 8.98 1.5516 3 4 0 4 59.90 3.97 1.5442 5 2 1 4 60.23 1.99 1.5364 6 1 0 4 61.09 1.17 1.5169 2 0 4 2 62.68 2.49 1.4823 -6 2 1 4 62.79 1.27 1.4799 -4 2 4 4 63.32 1.07 1.4688 -6 1 3 4 63.56 1.40 1.4637 -5 1 4 4 64.01 1.88 1.4546 2 4 2 4 64.73 1.07 1.4402 -1 3 4 4 64.75 1.48 1.4398 -4 4 1 4 65.38 1.44 1.4275 -3 0 5 2 65.68 2.47 1.4216 -2 4 3 4 65.90 1.94 1.4174 0 4 3 4 66.09 1.31 1.4138 -1 1 5 4 66.93 1.53 1.3981 0 5 1 4 66.93 2.62 1.3980 -4 4 2 4 67.53 1.40 1.3871 -7 0 2 2 67.57 1.27 1.3863 5 2 2 4 67.73 1.21 1.3835 -6 2 3 4 68.06 1.06 1.3775 -3 4 3 4 68.50 1.09 1.3699 3 3 3 4 69.46 1.63 1.3531 4 4 1 4 70.34 1.10 1.3383 -6 1 4 4 71.96 1.13 1.3121 6 3 0 4 73.42 3.87 1.2897 3 2 4 4 74.56 1.80 1.2728 -6 2 4 4 74.65 1.10 1.2715 5 3 2 4 76.47 1.30 1.2457 -7 2 3 4 77.47 2.97 1.2321 -5 4 3 4 78.28 2.54 1.2213 3 4 3 4 80.84 1.10 1.1890 0 6 0 2 81.04 1.09 1.1866 -8 0 3 2 81.40 1.89 1.1822 -6 3 4 4 81.60 1.41 1.1799 6 4 0 4 86.67 1.01 1.1234 1 0 6 2 87.20 1.02 1.1178 -4 2 6 4 88.28 1.22 1.1070 1 6 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.