Pargasite Oberti R, Ungaretti L, Cannillo E, Hawthorne F C, Memmi I European Journal of Mineralogy 7 (1995) 1049-1063 Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(6) Note: O(5) y-coordinate changed to reproduce reported bond lengths _database_code_amcsd 0006604 CELL PARAMETERS: 9.8670 18.0440 5.3180 90.000 105.060 90.000 SPACE GROUP: C2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 914.298 Density (g/cm3): 3.197 MAX. ABS. INTENSITY / VOLUME**2: 8.174863785 RIR: 0.833 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.80 28.40 9.0220 0 2 0 2 10.50 100.00 8.4256 1 1 0 4 18.05 16.12 4.9156 -1 1 1 4 19.68 12.92 4.5110 0 4 0 2 21.09 4.08 4.2128 2 2 0 4 22.25 4.17 3.9960 1 1 1 4 22.84 14.27 3.8938 -1 3 1 4 26.32 35.91 3.3865 1 3 1 4 27.23 32.44 3.2756 2 4 0 4 28.54 62.16 3.1280 3 1 0 4 29.39 2.46 3.0392 -3 1 1 4 30.32 3.65 2.9476 -1 5 1 4 30.38 31.09 2.9424 2 2 1 4 31.86 14.00 2.8085 3 3 0 4 32.64 17.82 2.7437 -3 3 1 4 33.08 75.68 2.7083 1 5 1 4 34.08 1.27 2.6305 -1 1 2 4 34.56 50.76 2.5951 0 6 1 4 34.94 2.94 2.5677 0 0 2 2 35.13 54.78 2.5544 -2 0 2 2 36.56 1.14 2.4578 -2 2 2 4 37.73 3.11 2.3842 3 5 0 4 37.77 1.66 2.3820 4 0 0 2 38.40 29.43 2.3442 -3 5 1 4 38.62 12.16 2.3315 -4 2 1 4 38.95 1.47 2.3125 1 1 2 4 39.14 5.90 2.3014 -1 7 1 4 39.29 17.50 2.2932 -3 1 2 4 40.59 5.93 2.2228 -2 4 2 4 41.38 5.39 2.1819 1 7 1 4 41.77 33.00 2.1627 2 6 1 4 41.86 4.63 2.1580 -3 3 2 4 42.22 1.41 2.1406 -1 5 2 4 43.84 1.24 2.0651 0 8 1 4 44.21 17.18 2.0489 2 0 2 2 44.67 12.28 2.0288 -4 0 2 2 44.93 13.17 2.0174 3 5 1 4 45.31 2.57 2.0015 3 7 0 4 45.89 3.22 1.9776 -3 7 1 4 46.28 1.26 1.9619 1 9 0 4 46.66 1.16 1.9467 -3 5 2 4 47.13 1.02 1.9283 4 2 1 4 48.01 3.79 1.8951 5 1 0 4 48.36 4.19 1.8823 -4 6 1 4 48.80 5.41 1.8663 -1 9 1 4 48.82 1.53 1.8655 2 4 2 4 49.23 2.13 1.8507 -1 7 2 4 49.25 3.10 1.8503 -4 4 2 4 50.22 2.07 1.8166 5 3 0 4 50.59 1.94 1.8044 0 10 0 2 50.69 1.46 1.8009 1 9 1 4 52.05 5.17 1.7570 -5 1 2 4 54.11 4.29 1.6950 -1 3 3 4 54.25 3.39 1.6907 -2 8 2 4 54.57 5.19 1.6818 0 2 3 4 54.60 2.30 1.6808 -3 9 1 4 55.70 24.44 1.6502 4 6 1 4 56.16 3.74 1.6378 4 8 0 4 56.96 9.79 1.6166 1 11 0 4 58.09 4.29 1.5880 6 0 0 2 58.14 17.98 1.5867 -1 5 3 4 59.19 1.61 1.5611 2 10 1 4 59.39 6.21 1.5563 4 0 2 2 60.01 10.48 1.5416 -6 0 2 2 60.90 22.39 1.5211 -2 6 3 4 60.94 2.17 1.5202 1 9 2 4 61.47 3.08 1.5084 -4 8 2 4 61.69 11.07 1.5037 0 12 0 2 61.76 4.16 1.5021 5 5 1 4 62.42 1.36 1.4877 0 6 3 4 63.08 1.73 1.4738 -2 10 2 4 63.15 1.26 1.4723 2 2 3 4 63.20 2.43 1.4712 4 4 2 4 63.80 1.89 1.4588 -6 4 2 4 63.87 4.15 1.4575 3 11 0 4 63.88 3.13 1.4572 -1 7 3 4 64.48 1.19 1.4452 -4 10 1 4 64.67 27.42 1.4414 -6 6 1 4 64.94 1.16 1.4359 -5 3 3 4 66.11 1.27 1.4133 -4 6 3 4 68.59 4.29 1.3683 -5 5 3 4 68.75 9.96 1.3655 5 1 2 4 69.22 2.47 1.3573 7 1 0 4 70.15 6.19 1.3416 1 11 2 4 70.37 3.73 1.3378 -3 11 2 4 70.44 6.20 1.3368 2 6 3 4 70.53 2.55 1.3352 5 3 2 4 70.99 1.08 1.3277 -6 8 1 4 71.13 1.53 1.3255 -1 9 3 4 71.78 5.45 1.3150 -1 1 4 4 71.81 1.08 1.3146 1 13 1 4 71.91 6.67 1.3130 -7 5 1 4 72.90 1.71 1.2975 0 12 2 4 73.01 12.31 1.2958 -2 12 2 4 73.54 2.04 1.2879 -1 3 4 4 73.76 1.08 1.2845 -3 3 4 4 73.81 2.70 1.2838 0 0 4 2 74.26 4.18 1.2772 -4 0 4 2 74.64 1.55 1.2715 4 12 0 4 76.75 1.06 1.2419 0 10 3 4 77.12 1.08 1.2367 -7 7 1 4 79.81 6.98 1.2017 -5 11 2 4 80.67 2.00 1.1910 8 0 0 2 82.79 4.19 1.1658 2 0 4 2 82.80 1.12 1.1657 -8 4 2 4 86.40 1.20 1.1261 7 9 0 4 87.02 1.90 1.1198 -6 4 4 4 89.66 1.40 1.0935 3 1 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.