Rossmanite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern Selway J B, Novak M, Hawthorne F C, Cerny P, Ottolini L, Kyser T K American Mineralogist 83 (1998) 896-900 Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure CELL PARAMETERS: 15.81972 15.81972 7.091665 90.00000 90.00000 120.0000 SPACE GROUP: R3m X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 11.18 19.53 7.9099 1 1 0 14.06 30.94 6.2979 1 0 1 17.99 25.68 4.9270 0 2 1 19.43 9.99 4.5668 3 0 0 21.23 62.73 4.1820 2 1 1 22.47 100.00 3.9549 2 2 0 25.94 55.78 3.4327 0 1 2 26.60 18.92 3.3493 1 3 1 28.93 8.51 3.0842 4 0 1 29.87 15.29 2.9896 4 1 0 30.54 72.82 2.9257 1 2 2 31.10 3.44 2.8735 3 2 1 34.58 6.99 2.5924 3 1 2 35.09 98.02 2.5559 0 5 1 36.93 2.04 2.4321 2 4 1 38.04 11.70 2.3639 0 0 3 38.24 14.91 2.3520 2 3 2 38.71 26.68 2.3247 5 1 1 39.44 2.15 2.2834 6 0 0 41.63 10.18 2.1681 5 0 2 42.06 10.88 2.1466 4 3 1 43.06 6.31 2.0993 0 3 3 43.06 4.37 2.0993 3 0 3 43.24 8.11 2.0910 4 2 2 44.63 12.20 2.0291 2 2 3 44.80 37.00 2.0216 1 5 2 45.21 6.65 2.0041 1 6 1 45.86 1.90 1.9775 4 4 0 47.81 34.32 1.9012 3 4 2 48.20 2.38 1.8867 3 5 1 48.20 2.19 1.8867 7 0 1 49.10 5.85 1.8543 1 4 3 49.10 1.98 1.8543 4 1 3 49.64 8.53 1.8352 6 2 1 50.24 1.65 1.8146 7 1 0 50.68 1.30 1.8000 6 1 2 51.91 5.96 1.7601 3 3 3 51.97 4.15 1.7583 1 0 4 53.01 1.46 1.7261 6 3 0 53.34 1.65 1.7164 0 2 4 53.43 1.11 1.7135 5 3 2 54.78 3.40 1.6746 2 6 2 55.95 20.09 1.6423 0 6 3 55.95 2.77 1.6423 6 0 3 56.45 15.91 1.6290 2 7 1 58.28 15.11 1.5820 5 5 0 58.59 3.57 1.5745 4 0 4 58.68 3.65 1.5723 4 5 2 59.02 2.84 1.5640 8 1 1 59.85 1.70 1.5442 3 2 4 60.28 5.59 1.5343 4 6 1 60.80 6.47 1.5223 9 0 0 61.19 5.63 1.5136 7 2 2 61.52 1.58 1.5062 7 3 1 62.04 4.28 1.4948 8 2 0 62.33 14.74 1.4885 0 5 4 63.55 4.12 1.4628 2 4 4 63.64 1.41 1.4610 1 8 2 64.71 4.41 1.4394 1 7 3 64.76 16.05 1.4384 5 1 4 64.85 5.90 1.4367 6 4 2 65.67 4.22 1.4207 7 4 0 66.19 2.61 1.4108 0 1 5 66.36 7.58 1.4076 6 5 1 66.36 2.91 1.4076 1 9 1 67.09 2.16 1.3940 3 6 3 67.09 5.03 1.3940 6 3 3 67.14 15.22 1.3931 4 3 4 67.37 1.23 1.3889 2 0 5 68.71 1.68 1.3650 3 8 1 69.87 10.98 1.3452 10 0 1 70.72 3.81 1.3311 5 6 2 71.03 1.08 1.3261 9 2 1 71.51 4.94 1.3183 6 6 0 71.74 3.69 1.3147 5 5 3 71.78 1.13 1.3140 7 0 4 71.78 3.51 1.3140 3 5 4 72.01 4.08 1.3104 0 4 5 72.65 12.43 1.3004 10 1 0 72.93 2.13 1.2962 6 2 4 73.01 2.75 1.2950 8 3 2 73.15 2.60 1.2928 2 3 5 73.31 1.47 1.2903 5 7 1 74.01 1.06 1.2798 9 0 3 74.14 1.63 1.2780 0 10 2 74.44 1.28 1.2735 8 4 1 74.92 5.33 1.2666 9 3 0 75.14 2.05 1.2634 2 8 3 75.41 11.56 1.2596 5 0 5 76.31 4.37 1.2470 5 4 4 77.80 4.41 1.2267 0 11 1 78.61 1.81 1.2160 4 8 2 78.91 1.47 1.2122 2 10 1 79.86 2.69 1.2002 3 4 5 81.35 1.68 1.1819 0 0 6 82.06 1.37 1.1735 6 1 5 82.22 3.02 1.1716 11 1 1 84.63 1.49 1.1442 3 0 6 85.08 6.44 1.1394 10 1 3 87.26 2.08 1.1164 9 3 3 87.30 1.75 1.1160 6 5 4 87.30 1.75 1.1160 6 5 4 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.