Schorl 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: Schorl 2672 Locality: Silver Crater, Hastings Co., Ontario, Canada _database_code_amcsd 0018784 CELL PARAMETERS: 16.0730 16.0730 7.3060 90.000 90.000 120.000 SPACE GROUP: R3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1634.573 Density (g/cm3): 3.294 MAX. ABS. INTENSITY / VOLUME**2: 11.19512987 RIR: 1.107 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.69 60.58 6.4691 1 0 1 3 17.60 20.88 5.0393 0 2 1 3 19.13 23.36 4.6399 3 0 0 3 20.81 45.28 4.2694 2 1 1 6 22.12 56.44 4.0182 2 2 0 6 25.20 47.97 3.5334 0 1 2 3 26.11 6.08 3.4134 1 3 1 6 28.41 2.89 3.1417 4 0 1 3 29.40 6.35 3.0375 4 1 0 6 29.77 54.45 3.0006 1 2 2 6 30.55 7.09 2.9261 3 2 1 6 33.78 5.57 2.6534 3 1 2 6 34.48 100.00 2.6015 0 5 1 3 35.63 2.68 2.5196 0 4 2 3 36.30 4.33 2.4750 2 4 1 6 36.91 5.93 2.4353 0 0 3 1 37.40 16.75 2.4042 2 3 2 6 38.04 12.84 2.3654 5 1 1 6 38.82 4.41 2.3199 6 0 0 3 40.47 1.72 2.2289 5 2 0 6 40.75 17.50 2.2142 5 0 2 3 41.34 5.84 2.1838 4 3 1 6 41.89 5.67 2.1564 0 3 3 3 41.89 7.40 2.1564 3 0 3 3 42.34 4.34 2.1347 4 2 2 6 43.45 9.20 2.0827 2 2 3 6 43.88 43.33 2.0631 1 5 2 6 44.44 7.31 2.0384 1 6 1 6 45.13 3.42 2.0091 4 4 0 6 46.85 22.53 1.9393 3 4 2 6 47.38 3.10 1.9187 3 5 1 6 47.87 7.44 1.9001 1 4 3 6 48.80 5.44 1.8663 6 2 1 6 49.67 1.52 1.8354 6 1 2 6 50.66 3.07 1.8020 3 3 3 6 51.74 2.33 1.7667 0 2 4 3 52.39 1.76 1.7465 5 3 2 6 52.88 1.31 1.7315 5 4 1 6 53.71 2.55 1.7067 2 6 2 6 54.64 14.20 1.6798 0 6 3 3 54.64 6.03 1.6798 6 0 3 3 55.48 11.28 1.6563 2 7 1 6 56.94 4.21 1.6173 4 0 4 3 57.32 15.61 1.6073 5 5 0 6 57.54 3.97 1.6018 4 5 2 6 58.00 1.65 1.5901 8 1 1 6 58.19 1.74 1.5855 3 2 4 6 59.24 4.12 1.5599 4 6 1 6 59.80 4.47 1.5466 9 0 0 3 60.01 4.67 1.5417 7 2 2 6 60.46 1.93 1.5313 7 3 1 6 60.64 14.33 1.5272 0 5 4 3 61.01 3.55 1.5188 8 2 0 6 61.84 3.96 1.5003 2 4 4 6 62.41 1.35 1.4879 1 8 2 6 63.03 14.26 1.4748 5 1 4 6 63.26 2.70 1.4700 1 7 3 6 63.60 4.51 1.4630 6 4 2 6 64.08 4.27 1.4532 0 1 5 3 64.57 5.08 1.4434 7 4 0 6 65.20 7.61 1.4309 6 5 1 6 65.37 8.84 1.4275 4 3 4 6 65.60 1.75 1.4231 3 6 3 6 65.60 3.28 1.4231 6 3 3 6 67.50 1.28 1.3876 3 8 1 6 68.64 8.29 1.3674 10 0 1 3 69.35 3.62 1.3551 5 6 2 6 69.81 1.79 1.3473 0 4 5 3 69.93 1.01 1.3452 7 0 4 3 69.93 2.65 1.3452 3 5 4 6 70.15 4.56 1.3415 5 5 3 6 70.28 3.32 1.3394 6 6 0 6 70.93 2.40 1.3287 2 3 5 6 71.39 7.89 1.3212 10 1 0 6 71.59 2.10 1.3181 8 3 2 6 72.00 1.35 1.3116 5 7 1 6 72.38 1.34 1.3056 9 0 3 3 72.70 1.44 1.3007 0 10 2 3 73.10 1.24 1.2945 8 4 1 6 73.15 9.91 1.2938 5 0 5 3 73.48 2.47 1.2887 2 8 3 6 73.61 3.36 1.2869 9 3 0 6 74.37 2.10 1.2756 5 4 4 6 76.38 3.01 1.2469 0 11 1 3 76.76 1.30 1.2417 7 4 3 6 77.07 1.51 1.2375 4 8 2 6 77.47 1.19 1.2321 2 10 1 6 77.51 1.44 1.2315 3 4 5 6 78.56 1.87 1.2177 0 0 6 1 79.66 1.31 1.2036 6 1 5 6 80.69 3.37 1.1908 11 1 1 6 81.77 1.29 1.1778 3 0 6 3 83.19 5.11 1.1613 10 1 3 6 84.55 1.28 1.1460 1 11 2 6 85.31 1.73 1.1378 9 3 3 6 88.13 1.04 1.1085 3 3 6 6 88.27 1.86 1.1071 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.