Palygorskite Chiari G, Giustetto R, Ricchiardi G European Journal of Mineralogy 15 (2003) 21-33 Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: OP _database_code_amcsd 0006954 CELL PARAMETERS: 12.7620 17.8820 5.2490 90.000 90.000 90.000 SPACE GROUP: Pbmn X-RAY WAVELENGTH: 1.541838 Cell Volume: 1197.875 Density (g/cm3): 2.316 MAX. ABS. INTENSITY / VOLUME**2: 14.06744771 RIR: 1.978 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.51 100.00 10.3878 1 1 0 4 13.88 13.51 6.3810 2 0 0 2 16.41 29.06 5.4006 1 3 0 4 18.28 2.03 4.8544 1 0 1 4 19.86 27.49 4.4705 0 4 0 2 20.82 28.21 4.2662 1 2 1 8 21.47 4.52 4.1385 3 1 0 4 23.64 4.19 3.7641 1 3 1 8 24.11 14.48 3.6920 2 2 1 8 24.31 3.93 3.6614 2 4 0 4 25.73 2.52 3.4626 3 3 0 4 25.87 1.92 3.4437 1 5 0 4 26.18 1.60 3.4034 0 4 1 4 26.59 2.17 3.3520 2 3 1 8 27.44 1.25 3.2499 3 1 1 8 27.97 22.83 3.1905 4 0 0 2 28.80 21.61 3.0999 3 2 1 8 29.73 2.74 3.0049 4 2 0 4 29.98 2.05 2.9803 0 6 0 2 30.94 1.12 2.8904 3 3 1 8 33.18 1.52 2.7003 2 6 0 4 33.41 6.53 2.6819 2 5 1 8 33.73 1.11 2.6576 3 4 1 8 34.54 10.51 2.5970 4 4 0 4 34.90 12.23 2.5707 1 0 2 4 35.27 3.28 2.5445 1 1 2 8 35.34 26.91 2.5399 1 6 1 8 35.85 1.07 2.5049 1 7 0 4 36.23 2.03 2.4793 4 3 1 8 37.04 2.51 2.4272 3 5 1 8 37.04 4.31 2.4272 2 0 2 4 37.39 1.77 2.4052 2 1 2 8 38.36 3.21 2.3463 5 3 0 4 38.43 1.76 2.3424 2 2 2 8 39.83 2.20 2.2633 0 4 2 4 39.88 1.00 2.2607 1 7 1 8 40.11 2.35 2.2480 2 3 2 8 41.68 1.60 2.1670 3 2 2 8 41.80 6.21 2.1612 2 7 1 8 42.19 1.71 2.1421 5 3 1 8 42.37 1.35 2.1331 2 4 2 8 42.50 2.57 2.1270 6 0 0 2 43.26 1.57 2.0916 3 3 2 8 44.71 5.06 2.0269 4 0 2 4 44.84 1.92 2.0212 3 7 1 8 45.07 3.55 2.0116 4 6 1 8 46.34 1.69 1.9594 6 1 1 8 48.36 2.44 1.8820 2 6 2 8 48.65 1.44 1.8716 6 3 1 8 49.37 3.02 1.8460 4 4 2 8 49.84 1.60 1.8298 5 0 2 4 50.16 2.39 1.8186 5 6 1 8 50.55 1.00 1.8056 5 7 0 4 51.20 1.65 1.7841 2 9 1 8 52.49 1.05 1.7434 7 3 0 4 53.18 1.85 1.7222 7 0 1 4 53.68 2.49 1.7074 5 7 1 8 54.70 2.63 1.6780 1 10 1 8 55.18 1.07 1.6645 1 3 3 8 55.41 1.84 1.6581 2 2 3 8 55.62 3.61 1.6525 6 0 2 4 55.92 2.78 1.6442 2 8 2 8 55.92 1.79 1.6442 6 6 1 8 56.22 1.83 1.6361 2 10 1 8 58.70 1.50 1.5727 3 10 1 8 58.91 1.66 1.5679 5 9 0 4 59.58 1.03 1.5517 7 5 1 8 61.31 1.74 1.5120 4 2 3 8 61.45 5.92 1.5089 0 6 3 4 62.26 1.02 1.4912 7 6 1 8 62.31 3.34 1.4902 0 12 0 2 64.48 1.04 1.4452 6 6 2 8 65.02 2.41 1.4344 1 7 3 8 66.48 2.60 1.4064 8 6 0 4 66.68 1.54 1.4026 5 3 3 8 72.08 1.29 1.3103 8 7 1 8 72.40 2.36 1.3054 1 0 4 4 73.45 2.77 1.2892 1 12 2 8 74.75 2.15 1.2699 2 12 2 8 76.11 1.26 1.2506 0 10 3 4 82.92 1.46 1.1643 4 10 3 8 88.31 1.42 1.1066 6 12 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.