Fluor-schorl Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J, Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F, Francis C A, Prem M, Tillmanns E American Mineralogist 97 (2012) 1402-1416 Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2h2, heated a second time in air at 750 C for 72 h Locality: Blocherleitengraben, Lower Austria _database_code_amcsd 0019252 CELL PARAMETERS: 15.9180 15.9180 7.2600 90.000 90.000 120.000 SPACE GROUP: R3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1593.105 Density (g/cm3): 3.329 MAX. ABS. INTENSITY / VOLUME**2: 10.41255848 RIR: 1.018 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.79 62.32 6.4236 1 0 1 3 17.74 25.86 4.9987 0 2 1 3 19.32 18.90 4.5951 3 0 0 3 20.99 50.79 4.2331 2 1 1 6 22.34 61.59 3.9795 2 2 0 6 25.37 56.23 3.5103 0 1 2 3 26.35 5.84 3.3829 1 3 1 6 28.67 2.18 3.1134 4 0 1 3 29.70 8.15 3.0082 4 1 0 6 30.00 64.65 2.9784 1 2 2 6 30.84 5.50 2.8994 3 2 1 6 34.06 5.30 2.6325 3 1 2 6 34.81 100.00 2.5775 0 5 1 3 35.93 1.42 2.4993 0 4 2 3 36.65 5.68 2.4521 2 4 1 6 37.15 5.04 2.4200 0 0 3 1 37.73 14.32 2.3845 2 3 2 6 38.41 13.05 2.3434 5 1 1 6 39.21 4.81 2.2976 6 0 0 3 40.88 1.63 2.2074 5 2 0 6 41.11 17.64 2.1956 5 0 2 3 41.75 6.24 2.1633 4 3 1 6 42.21 5.54 2.1412 0 3 3 3 42.21 8.41 2.1412 3 0 3 3 42.72 4.44 2.1165 4 2 2 6 43.78 9.18 2.0677 2 2 3 6 44.28 44.54 2.0454 1 5 2 6 44.89 8.06 2.0193 1 6 1 6 45.59 3.20 1.9898 4 4 0 6 47.28 21.87 1.9224 3 4 2 6 47.86 2.75 1.9007 3 5 1 6 48.26 8.18 1.8856 1 4 3 6 49.29 7.80 1.8487 6 2 1 6 49.95 1.22 1.8259 7 1 0 6 50.15 1.60 1.8192 6 1 2 6 50.73 1.01 1.7995 1 0 4 3 51.09 4.40 1.7879 3 3 3 6 52.11 3.52 1.7552 0 2 4 3 52.70 1.04 1.7368 6 3 0 6 52.89 1.23 1.7310 5 3 2 6 53.42 1.03 1.7151 5 4 1 6 54.23 2.37 1.6915 2 6 2 6 55.12 16.74 1.6662 0 6 3 3 55.12 4.66 1.6662 6 0 3 3 56.06 11.26 1.6406 2 7 1 6 57.38 4.09 1.6059 4 0 4 3 57.93 17.02 1.5918 5 5 0 6 58.11 4.86 1.5873 4 5 2 6 58.61 1.44 1.5750 8 1 1 6 58.65 1.53 1.5742 3 2 4 6 59.86 4.52 1.5451 4 6 1 6 60.44 3.50 1.5317 9 0 0 3 60.61 4.93 1.5277 7 2 2 6 61.10 1.27 1.5168 7 3 1 6 61.13 14.77 1.5160 0 5 4 3 61.67 3.76 1.5041 8 2 0 6 62.35 4.69 1.4892 2 4 4 6 63.56 14.72 1.4638 5 1 4 6 63.86 3.57 1.4576 1 7 3 6 64.25 4.30 1.4497 6 4 2 6 64.54 4.05 1.4440 0 1 5 3 65.27 4.52 1.4295 7 4 0 6 65.90 9.00 1.4173 6 5 1 6 65.90 1.15 1.4173 1 9 1 6 65.94 8.50 1.4167 4 3 4 6 66.23 2.14 1.4110 3 6 3 6 66.23 3.08 1.4110 6 3 3 6 68.24 1.78 1.3744 3 8 1 6 69.39 9.85 1.3543 10 0 1 3 70.09 4.43 1.3426 5 6 2 6 70.36 1.71 1.3381 0 4 5 3 70.54 1.04 1.3351 9 2 1 6 70.57 1.29 1.3346 7 0 4 3 70.57 3.64 1.3346 3 5 4 6 70.86 5.07 1.3299 5 5 3 6 71.07 4.76 1.3265 6 6 0 6 71.50 2.95 1.3196 2 3 5 6 71.70 1.28 1.3163 6 2 4 6 72.20 7.76 1.3085 10 1 0 6 72.36 2.93 1.3060 8 3 2 6 72.80 1.38 1.2991 5 7 1 6 73.12 1.64 1.2942 9 0 3 3 73.48 1.27 1.2887 0 10 2 3 73.75 9.90 1.2847 5 0 5 3 74.24 2.59 1.2775 2 8 3 6 74.44 3.29 1.2745 9 3 0 6 75.07 1.96 1.2654 5 4 4 6 77.25 3.54 1.2350 0 11 1 3 77.56 1.06 1.2308 7 4 3 6 77.92 1.62 1.2260 4 8 2 6 78.18 1.40 1.2226 3 4 5 6 79.16 1.49 1.2100 0 0 6 1 80.37 1.52 1.1947 6 1 5 6 81.63 3.35 1.1795 11 1 1 6 82.42 1.07 1.1701 3 0 6 3 84.10 5.29 1.1510 10 1 3 6 85.53 1.01 1.1354 1 11 2 6 86.26 1.25 1.1276 9 3 3 6 86.87 1.06 1.1213 4 5 5 6 88.90 1.28 1.1009 3 3 6 6 89.21 2.58 1.0978 10 0 4 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.