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: MP _database_code_amcsd 0006953 CELL PARAMETERS: 13.3040 17.8760 5.2510 90.000 107.010 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1194.174 Density (g/cm3): 2.323 MAX. ABS. INTENSITY / VOLUME**2: 15.57307458 RIR: 2.183 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.53 100.00 10.3651 1 1 0 4 9.90 2.82 8.9380 0 2 0 2 13.92 3.55 6.3610 2 0 0 2 17.11 1.42 5.1825 2 2 0 4 17.66 2.16 5.0213 0 0 1 2 17.70 1.15 5.0119 -1 1 1 4 19.87 27.99 4.4690 0 4 0 2 20.29 4.48 4.3778 0 2 1 4 21.42 3.25 4.1477 1 1 1 4 21.51 6.96 4.1318 -2 2 1 4 21.54 18.69 4.1262 3 1 0 4 22.64 5.77 3.9270 -1 3 1 4 23.69 2.16 3.7550 -3 1 1 4 24.34 1.52 3.6567 2 4 0 4 25.62 1.59 3.4775 2 0 1 2 25.69 1.78 3.4676 1 3 1 4 25.79 2.43 3.4550 3 3 0 4 25.89 1.11 3.4419 1 5 0 4 27.52 23.52 3.2408 2 2 1 4 27.63 14.25 3.2282 -3 3 1 4 28.06 15.63 3.1805 4 0 0 2 30.30 8.35 2.9499 -1 5 1 4 31.75 2.37 2.8186 3 1 1 4 34.27 6.79 2.6169 -3 5 1 4 34.35 5.54 2.6106 -2 0 2 2 34.62 3.41 2.5913 4 4 0 4 34.70 1.72 2.5851 -1 1 2 4 34.85 2.34 2.5742 3 3 1 4 34.98 1.07 2.5653 -4 4 1 4 35.02 5.26 2.5623 0 6 1 4 35.64 2.02 2.5190 5 1 0 4 35.76 18.49 2.5106 0 0 2 2 35.77 3.22 2.5101 -2 6 1 4 38.47 1.73 2.3400 5 3 0 4 38.65 1.54 2.3298 -4 0 2 2 39.27 1.14 2.2940 -1 7 1 4 39.84 3.01 2.2625 2 6 1 4 40.00 2.16 2.2542 -2 4 2 4 40.44 5.22 2.2306 3 5 1 4 41.20 1.68 2.1909 1 7 1 4 41.51 2.55 2.1754 1 3 2 4 41.53 1.09 2.1743 4 6 0 4 42.51 4.01 2.1265 -3 7 1 4 42.90 2.47 2.1082 2 8 0 4 42.92 1.24 2.1071 4 4 1 4 43.06 1.99 2.1009 -5 5 1 4 45.31 1.31 2.0013 -5 3 2 4 46.42 1.12 1.9560 1 5 2 4 47.34 1.48 1.9203 -6 0 2 2 47.45 3.00 1.9162 3 1 2 4 47.79 1.39 1.9032 3 7 1 4 48.42 1.48 1.8799 2 8 1 4 49.07 1.94 1.8564 -1 9 1 4 49.93 1.87 1.8265 -5 5 2 4 50.47 1.82 1.8081 7 1 0 4 50.53 4.36 1.8064 -7 3 1 4 50.64 1.26 1.8024 5 7 0 4 50.76 1.24 1.7987 3 9 0 4 51.10 1.31 1.7876 0 10 0 2 51.55 1.77 1.7729 5 5 1 4 51.69 2.72 1.7683 -6 6 1 4 51.82 1.97 1.7644 -6 4 2 4 52.64 2.24 1.7387 4 0 2 2 53.01 1.66 1.7275 6 6 0 4 54.49 2.26 1.6841 0 10 1 4 54.82 3.01 1.6747 -7 5 1 4 54.96 1.67 1.6706 -3 3 3 4 59.03 1.33 1.5649 -3 5 3 4 59.38 1.79 1.5565 -3 9 2 4 61.02 1.14 1.5185 1 11 1 4 61.10 1.49 1.5167 7 3 1 4 61.25 2.63 1.5134 1 9 2 4 61.46 1.22 1.5086 -2 6 3 4 62.22 1.77 1.4921 2 2 3 4 62.33 1.62 1.4897 0 12 0 2 63.72 1.66 1.4604 1 5 3 4 64.15 2.09 1.4518 -8 6 1 4 64.93 2.23 1.4363 7 5 1 4 68.08 2.22 1.3773 -6 6 3 4 68.72 1.43 1.3660 -9 5 1 4 69.30 1.26 1.3559 1 7 3 4 79.45 1.00 1.2062 -6 4 4 4 79.51 1.03 1.2055 -3 13 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.