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 bls2h1, heated in air at 700 C for 10 h Locality: Blocherleitengraben, Lower Austria _database_code_amcsd 0019251 CELL PARAMETERS: 15.9170 15.9170 7.2520 90.000 90.000 120.000 SPACE GROUP: R3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1591.149 Density (g/cm3): 3.335 MAX. ABS. INTENSITY / VOLUME**2: 10.61041401 RIR: 1.036 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.80 63.50 6.4180 1 0 1 3 17.75 24.47 4.9959 0 2 1 3 19.32 18.24 4.5948 3 0 0 3 21.00 50.65 4.2313 2 1 1 6 22.34 60.60 3.9792 2 2 0 6 25.40 56.37 3.5067 0 1 2 3 26.35 4.89 3.3820 1 3 1 6 28.68 1.90 3.1126 4 0 1 3 29.70 8.26 3.0080 4 1 0 6 30.03 63.28 2.9762 1 2 2 6 30.85 5.87 2.8988 3 2 1 6 34.08 4.85 2.6309 3 1 2 6 34.81 100.00 2.5770 0 5 1 3 35.95 1.65 2.4980 0 4 2 3 36.66 5.53 2.4517 2 4 1 6 37.19 4.98 2.4173 0 0 3 1 37.75 14.05 2.3833 2 3 2 6 38.42 12.81 2.3430 5 1 1 6 39.21 4.72 2.2974 6 0 0 3 40.88 1.76 2.2073 5 2 0 6 41.13 17.56 2.1946 5 0 2 3 41.76 6.38 2.1630 4 3 1 6 42.24 5.31 2.1393 0 3 3 3 42.24 8.30 2.1393 3 0 3 3 42.74 4.08 2.1156 4 2 2 6 43.82 9.23 2.0660 2 2 3 6 44.30 44.29 2.0446 1 5 2 6 44.89 8.09 2.0190 1 6 1 6 45.59 3.35 1.9896 4 4 0 6 47.30 21.65 1.9217 3 4 2 6 47.87 2.74 1.9004 3 5 1 6 48.30 8.41 1.8843 1 4 3 6 49.30 7.74 1.8484 6 2 1 6 49.95 1.23 1.8258 7 1 0 6 50.16 1.60 1.8186 6 1 2 6 51.12 4.33 1.7868 3 3 3 6 52.17 3.49 1.7534 0 2 4 3 52.91 1.24 1.7305 5 3 2 6 54.25 2.35 1.6910 2 6 2 6 55.15 16.49 1.6653 0 6 3 3 55.15 4.74 1.6653 6 0 3 3 56.06 11.23 1.6404 2 7 1 6 57.43 4.12 1.6045 4 0 4 3 57.94 17.25 1.5917 5 5 0 6 58.13 4.68 1.5869 4 5 2 6 58.62 1.31 1.5749 8 1 1 6 58.70 1.48 1.5729 3 2 4 6 59.87 4.40 1.5449 4 6 1 6 60.44 3.29 1.5316 9 0 0 3 60.63 4.86 1.5274 7 2 2 6 61.10 1.33 1.5166 7 3 1 6 61.18 14.70 1.5148 0 5 4 3 61.67 3.77 1.5040 8 2 0 6 62.40 4.46 1.4881 2 4 4 6 63.61 14.76 1.4627 5 1 4 6 63.89 3.53 1.4569 1 7 3 6 64.27 4.39 1.4494 6 4 2 6 64.61 4.14 1.4424 0 1 5 3 65.28 4.48 1.4294 7 4 0 6 65.91 8.85 1.4172 6 5 1 6 65.91 1.14 1.4172 1 9 1 6 65.99 8.40 1.4157 4 3 4 6 66.27 2.01 1.4104 3 6 3 6 66.27 2.96 1.4104 6 3 3 6 68.25 1.73 1.3742 3 8 1 6 69.40 9.93 1.3542 10 0 1 3 70.10 4.38 1.3423 5 6 2 6 70.43 1.63 1.3368 0 4 5 3 70.62 1.26 1.3338 7 0 4 3 70.62 3.60 1.3338 3 5 4 6 70.89 5.14 1.3294 5 5 3 6 71.07 4.62 1.3264 6 6 0 6 71.57 2.88 1.3184 2 3 5 6 71.75 1.24 1.3155 6 2 4 6 72.20 7.69 1.3084 10 1 0 6 72.37 2.87 1.3057 8 3 2 6 72.81 1.37 1.2990 5 7 1 6 73.15 1.60 1.2938 9 0 3 3 73.50 1.33 1.2885 0 10 2 3 73.82 9.93 1.2836 5 0 5 3 74.27 2.59 1.2770 2 8 3 6 74.45 3.28 1.2744 9 3 0 6 75.12 1.85 1.2646 5 4 4 6 77.26 3.52 1.2348 0 11 1 3 77.59 1.05 1.2304 7 4 3 6 77.94 1.60 1.2258 4 8 2 6 78.26 1.42 1.2216 3 4 5 6 79.26 1.52 1.2087 0 0 6 1 80.45 1.48 1.1938 6 1 5 6 81.64 3.32 1.1794 11 1 1 6 82.53 1.05 1.1689 3 0 6 3 84.13 5.34 1.1506 10 1 3 6 85.55 1.02 1.1352 1 11 2 6 86.29 1.27 1.1273 9 3 3 6 86.85 1.03 1.1215 1 4 6 6 86.94 1.05 1.1206 4 5 5 6 89.00 1.26 1.0999 3 3 6 6 89.26 2.54 1.0973 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.