Maya Blue 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 (3 cells+indigo) _database_code_amcsd 0006958 CELL PARAMETERS: 12.7090 17.8960 15.7750 90.000 90.000 90.000 SPACE GROUP: Pbmn X-RAY WAVELENGTH: 1.541838 Cell Volume: 3587.870 Density (g/cm3): 2.322 MAX. ABS. INTENSITY / VOLUME**2: 14.81779484 RIR: 2.077 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.53 100.00 10.3619 1 1 0 4 13.94 17.50 6.3545 2 0 0 2 16.42 11.05 5.4001 1 3 0 4 17.11 2.31 5.1810 2 2 0 4 18.93 2.90 4.6891 1 1 3 8 19.84 23.77 4.4740 0 4 0 2 20.51 1.07 4.3303 2 2 2 8 20.80 24.71 4.2700 1 2 3 8 21.56 4.04 4.1224 3 1 0 4 23.62 5.46 3.7673 1 3 3 8 24.11 12.73 3.6905 2 2 3 8 24.33 5.83 3.6582 2 4 0 4 26.15 3.16 3.4075 0 4 3 4 26.60 3.59 3.3514 2 3 3 8 28.08 21.75 3.1772 4 0 0 2 28.84 19.05 3.0953 3 2 3 8 29.84 2.65 2.9941 4 2 0 4 30.98 5.96 2.8869 3 3 3 8 33.41 6.52 2.6823 2 5 3 8 33.76 1.31 2.6552 3 4 3 8 34.47 2.27 2.6019 4 2 3 8 34.57 1.05 2.5944 0 6 3 4 34.63 10.81 2.5905 4 4 0 4 34.85 8.11 2.5747 1 0 6 4 35.22 1.66 2.5484 1 1 6 8 35.31 24.69 2.5419 1 6 3 8 36.31 1.28 2.4744 4 3 3 8 37.00 5.23 2.4294 2 0 6 4 37.06 1.88 2.4257 3 5 3 8 37.35 3.51 2.4074 2 1 6 8 37.44 1.03 2.4019 2 6 3 8 39.84 1.75 2.2625 1 7 3 8 40.32 1.48 2.2370 0 8 0 2 40.42 1.15 2.2315 1 4 6 8 40.70 2.20 2.2171 5 2 3 8 40.70 2.67 2.2167 3 1 6 8 41.78 4.85 2.1620 2 7 3 8 42.30 1.22 2.1366 5 3 3 8 42.69 4.26 2.1182 6 0 0 2 43.25 2.27 2.0920 3 3 6 8 44.74 2.23 2.0256 4 0 6 4 44.85 3.90 2.0208 3 7 3 8 45.12 2.87 2.0095 4 6 3 8 49.39 2.50 1.8453 4 4 6 8 50.25 1.68 1.8156 5 6 3 8 50.53 1.65 1.8063 7 1 0 4 53.76 1.63 1.7051 5 7 3 8 54.65 2.47 1.6793 1 10 3 8 55.09 1.23 1.6672 1 3 9 8 55.33 1.18 1.6603 2 2 9 8 55.73 2.50 1.6495 6 0 6 4 55.87 2.24 1.6456 2 8 6 8 56.05 1.96 1.6408 6 6 3 8 56.19 1.72 1.6370 2 10 3 8 58.06 1.87 1.5886 8 0 0 2 58.38 2.28 1.5807 3 8 6 8 58.69 1.32 1.5730 3 10 3 8 59.76 1.06 1.5475 7 5 3 8 60.16 1.50 1.5381 6 8 0 4 61.28 1.55 1.5126 4 2 9 8 61.35 4.68 1.5112 0 6 9 4 62.25 2.15 1.4913 0 12 0 2 62.37 2.32 1.4888 7 1 6 8 62.43 1.14 1.4875 7 6 3 8 64.28 1.21 1.4492 7 3 6 8 64.92 2.29 1.4364 1 7 9 8 65.51 1.72 1.4249 7 7 3 8 66.84 1.67 1.3996 8 5 3 8 69.31 1.08 1.3558 8 1 6 8 72.25 2.69 1.3076 1 0 12 4 72.29 1.82 1.3070 8 7 3 8 72.93 1.23 1.2972 0 12 6 4 73.37 2.80 1.2905 1 12 6 8 74.68 2.10 1.2710 2 12 6 8 75.79 1.01 1.2551 1 4 12 8 88.36 1.13 1.1062 6 12 6 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.