Fluor-elbaite Grice J D, Ercit T S Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Elbaite 55224 Locality: Minas Gerais, Brazil _database_code_amcsd 0018794 CELL PARAMETERS: 15.8460 15.8460 7.1190 90.000 90.000 120.000 SPACE GROUP: R3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1548.064 Density (g/cm3): 3.050 MAX. ABS. INTENSITY / VOLUME**2: 6.624506334 RIR: 0.707 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.17 12.73 7.9230 1 1 0 6 14.01 23.80 6.3193 1 0 1 3 17.95 25.06 4.9403 0 2 1 3 19.40 13.66 4.5743 3 0 0 3 21.19 56.60 4.1921 2 1 1 6 22.44 82.57 3.9615 2 2 0 6 25.86 51.27 3.4455 0 1 2 3 26.56 16.99 3.3565 1 3 1 6 28.89 7.85 3.0906 4 0 1 3 29.84 14.98 2.9946 4 1 0 6 30.46 71.64 2.9349 1 2 2 6 31.06 4.91 2.8793 3 2 1 6 34.50 6.51 2.5998 3 1 2 6 35.04 100.00 2.5609 0 5 1 3 36.89 1.86 2.4368 2 4 1 6 37.92 10.42 2.3730 0 0 3 1 38.16 14.86 2.3582 2 3 2 6 38.66 22.43 2.3291 5 1 1 6 39.40 2.36 2.2872 6 0 0 3 41.55 9.63 2.1735 5 0 2 3 42.01 13.10 2.1506 4 3 1 6 42.94 5.59 2.1064 0 3 3 3 42.94 4.87 2.1064 3 0 3 3 43.16 8.71 2.0961 4 2 2 6 44.51 13.59 2.0357 2 2 3 6 44.72 37.61 2.0264 1 5 2 6 45.16 5.96 2.0078 1 6 1 6 45.81 3.06 1.9807 4 4 0 6 47.73 34.55 1.9055 3 4 2 6 48.14 2.01 1.8901 3 5 1 6 48.14 1.47 1.8901 7 0 1 3 48.98 5.06 1.8599 1 4 3 6 49.58 7.70 1.8385 6 2 1 6 50.19 1.35 1.8177 7 1 0 6 50.60 1.12 1.8040 6 1 2 6 51.79 4.79 1.7651 3 3 3 6 51.80 3.69 1.7650 1 0 4 3 53.17 1.47 1.7227 0 2 4 3 53.35 1.15 1.7172 5 3 2 6 54.69 3.05 1.6782 2 6 2 6 55.83 17.68 1.6468 0 6 3 3 55.83 3.63 1.6468 6 0 3 3 56.38 16.00 1.6319 2 7 1 6 58.22 16.14 1.5846 5 5 0 6 58.42 3.43 1.5798 4 0 4 3 58.59 3.22 1.5756 4 5 2 6 58.95 2.31 1.5668 8 1 1 6 59.68 1.75 1.5493 3 2 4 6 60.21 4.50 1.5370 4 6 1 6 60.74 6.18 1.5248 9 0 0 3 61.10 5.59 1.5167 7 2 2 6 61.45 1.55 1.5089 7 3 1 6 61.98 3.99 1.4973 8 2 0 6 62.16 14.73 1.4933 0 5 4 3 63.38 3.58 1.4674 2 4 4 6 63.55 1.75 1.4640 1 8 2 6 64.59 4.30 1.4430 1 7 3 6 64.59 16.59 1.4429 5 1 4 6 64.75 5.39 1.4396 6 4 2 6 65.61 3.70 1.4230 7 4 0 6 65.96 3.19 1.4162 0 1 5 3 66.29 2.51 1.4101 1 9 1 6 66.29 6.33 1.4101 6 5 1 6 66.97 1.79 1.3974 3 6 3 6 66.97 4.95 1.3974 6 3 3 6 66.97 13.88 1.3973 4 3 4 6 68.63 1.50 1.3674 3 8 1 6 69.80 10.52 1.3475 10 0 1 3 70.62 3.15 1.3338 5 6 2 6 71.44 3.69 1.3205 6 6 0 6 71.61 3.62 1.3178 5 5 3 6 71.61 2.86 1.3177 3 5 4 6 71.78 3.85 1.3150 0 4 5 3 72.58 12.15 1.3025 10 1 0 6 72.75 1.52 1.2999 6 2 4 6 72.91 2.48 1.2975 8 3 2 6 72.92 1.99 1.2973 2 3 5 6 73.23 1.32 1.2926 5 7 1 6 74.04 1.45 1.2804 0 10 2 3 74.36 1.86 1.2757 8 4 1 6 74.84 4.76 1.2687 9 3 0 6 75.01 2.23 1.2663 2 8 3 6 75.18 11.09 1.2639 5 0 5 3 76.13 4.61 1.2504 5 4 4 6 77.41 1.00 1.2329 1 5 5 6 77.71 4.38 1.2288 0 11 1 3 78.51 1.66 1.2184 4 8 2 6 78.82 1.46 1.2143 2 10 1 6 79.62 2.58 1.2041 3 4 5 6 81.04 1.98 1.1865 0 0 6 1 82.12 2.72 1.1737 11 1 1 6 84.33 1.39 1.1485 3 0 6 3 84.93 5.77 1.1418 10 1 3 6 87.11 2.29 1.1188 9 3 3 6 87.11 1.27 1.1188 6 5 4 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.