Feruvite 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: Feruvite 53776 Locality: Cuvier Island, New Zealand _database_code_amcsd 0018788 CELL PARAMETERS: 16.0000 16.0000 7.2480 90.000 90.000 120.000 SPACE GROUP: R3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1606.900 Density (g/cm3): 3.124 MAX. ABS. INTENSITY / VOLUME**2: 8.209763504 RIR: 0.856 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.79 22.51 6.4224 1 0 1 3 17.71 20.80 5.0082 0 2 1 3 19.22 22.41 4.6188 3 0 0 3 20.93 52.62 4.2450 2 1 1 6 22.22 57.81 4.0000 2 2 0 6 25.40 43.91 3.5061 0 1 2 3 26.25 9.77 3.3953 1 3 1 6 28.56 1.72 3.1255 4 0 1 3 29.54 13.31 3.0237 4 1 0 6 29.98 73.03 2.9801 1 2 2 6 30.71 8.98 2.9112 3 2 1 6 34.00 7.10 2.6366 3 1 2 6 34.65 100.00 2.5885 0 5 1 3 35.86 2.40 2.5041 0 4 2 3 36.48 4.13 2.4628 2 4 1 6 37.22 7.42 2.4160 0 0 3 1 37.64 13.67 2.3898 2 3 2 6 38.24 15.93 2.3538 5 1 1 6 39.00 3.29 2.3094 6 0 0 3 40.66 1.32 2.2188 5 2 0 6 41.00 11.78 2.2014 5 0 2 3 41.56 12.21 2.1732 4 3 1 6 42.21 5.10 2.1408 0 3 3 3 42.21 7.25 2.1408 3 0 3 3 42.60 6.43 2.1225 4 2 2 6 43.77 13.99 2.0680 2 2 3 6 44.14 42.58 2.0515 1 5 2 6 44.67 8.17 2.0286 1 6 1 6 45.34 4.35 2.0000 4 4 0 6 47.12 28.50 1.9286 3 4 2 6 47.62 1.41 1.9096 3 5 1 6 48.21 4.78 1.8875 1 4 3 6 49.05 7.06 1.8574 6 2 1 6 49.96 1.49 1.8254 6 1 2 6 50.82 1.61 1.7967 1 0 4 3 51.01 4.08 1.7904 3 3 3 6 52.18 2.33 1.7530 0 2 4 3 53.15 1.12 1.7233 5 4 1 6 54.01 3.48 1.6977 2 6 2 6 55.01 13.25 1.6694 0 6 3 3 55.01 5.82 1.6694 6 0 3 3 55.76 13.39 1.6485 2 7 1 6 57.39 3.27 1.6056 4 0 4 3 57.61 18.25 1.6000 5 5 0 6 57.87 3.96 1.5934 4 5 2 6 58.30 2.40 1.5826 8 1 1 6 58.64 2.17 1.5742 3 2 4 6 59.54 3.35 1.5525 4 6 1 6 60.10 4.52 1.5396 9 0 0 3 60.35 5.78 1.5337 7 2 2 6 60.77 1.19 1.5241 7 3 1 6 61.10 15.23 1.5166 0 5 4 3 61.32 3.42 1.5119 8 2 0 6 62.31 4.00 1.4900 2 4 4 6 62.77 1.69 1.4803 1 8 2 6 63.51 15.62 1.4649 5 1 4 6 63.67 3.77 1.4615 1 7 3 6 63.67 1.36 1.4615 7 1 3 6 63.96 4.29 1.4556 6 4 2 6 64.65 4.51 1.4417 0 1 5 3 64.90 5.37 1.4368 7 4 0 6 65.54 5.93 1.4242 6 5 1 6 65.54 1.30 1.4242 1 9 1 6 65.86 9.74 1.4181 4 3 4 6 66.02 1.41 1.4150 3 6 3 6 66.02 4.24 1.4150 6 3 3 6 67.86 1.32 1.3811 3 8 1 6 69.00 9.57 1.3610 10 0 1 3 69.75 2.66 1.3483 5 6 2 6 70.41 2.78 1.3372 0 4 5 3 70.45 2.78 1.3366 3 5 4 6 70.61 3.90 1.3340 5 5 3 6 70.65 3.83 1.3333 6 6 0 6 71.54 1.72 1.3189 2 3 5 6 71.58 1.16 1.3183 6 2 4 6 71.77 10.31 1.3152 10 1 0 6 72.00 2.69 1.3115 8 3 2 6 72.39 1.35 1.3055 5 7 1 6 73.12 1.32 1.2943 0 10 2 3 73.50 1.64 1.2885 8 4 1 6 73.77 10.60 1.2845 5 0 5 3 73.96 2.69 1.2816 2 8 3 6 74.00 3.50 1.2810 9 3 0 6 74.91 2.90 1.2677 5 4 4 6 76.43 1.13 1.2463 7 5 2 6 76.80 3.87 1.2411 0 11 1 3 77.52 2.04 1.2314 4 8 2 6 77.89 1.28 1.2264 2 10 1 6 78.15 1.80 1.2230 3 4 5 6 79.31 1.71 1.2080 0 0 6 1 80.32 1.23 1.1954 6 1 5 6 81.14 3.41 1.1853 11 1 1 6 82.55 1.14 1.1687 3 0 6 3 83.73 4.65 1.1551 10 1 3 6 85.87 2.05 1.1318 9 3 3 6 88.92 2.20 1.1007 10 0 4 3 88.95 1.40 1.1004 3 3 6 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.