Rossmanite Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T American Mineralogist 90 (2005) 481-487 Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT4 Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6 (Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04] Tourmaline Locality: Eibenstein an der Thaya, Lower Austria _database_code_amcsd 0003739 CELL PARAMETERS: 15.8171 15.8171 7.0935 90.000 90.000 120.000 SPACE GROUP: R3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1536.897 Density (g/cm3): 3.080 MAX. ABS. INTENSITY / VOLUME**2: 6.813949383 RIR: 0.720 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.19 9.05 7.9085 1 1 0 6 14.06 39.69 6.2990 1 0 1 3 18.00 23.22 4.9271 0 2 1 3 19.44 10.80 4.5660 3 0 0 3 21.25 58.08 4.1819 2 1 1 6 22.48 93.43 3.9543 2 2 0 6 25.95 56.71 3.4335 0 1 2 3 26.62 13.26 3.3491 1 3 1 6 28.95 5.02 3.0839 4 0 1 3 29.89 10.77 2.9892 4 1 0 6 30.55 65.70 2.9260 1 2 2 6 31.13 5.44 2.8732 3 2 1 6 34.60 6.10 2.5926 3 1 2 6 35.11 100.00 2.5556 0 5 1 3 36.96 2.71 2.4318 2 4 1 6 38.06 10.81 2.3645 0 0 3 1 38.27 15.37 2.3521 2 3 2 6 38.74 21.07 2.3244 5 1 1 6 39.47 1.68 2.2830 6 0 0 3 41.66 11.25 2.1681 5 0 2 3 42.10 10.73 2.1464 4 3 1 6 43.08 6.23 2.0997 0 3 3 3 43.08 4.73 2.0997 3 0 3 3 43.27 5.73 2.0910 4 2 2 6 44.65 10.90 2.0294 2 2 3 6 44.84 39.45 2.0215 1 5 2 6 45.25 8.35 2.0038 1 6 1 6 45.90 1.78 1.9771 4 4 0 6 47.85 30.90 1.9011 3 4 2 6 48.24 1.45 1.8864 7 0 1 3 48.24 2.69 1.8864 3 5 1 6 49.13 7.22 1.8545 1 4 3 6 49.69 8.23 1.8349 6 2 1 6 50.29 1.48 1.8143 7 1 0 6 50.72 1.37 1.7999 6 1 2 6 51.95 5.95 1.7602 3 3 3 6 52.00 2.56 1.7587 1 0 4 3 53.07 1.21 1.7258 6 3 0 6 53.37 1.93 1.7168 0 2 4 3 53.48 1.04 1.7134 5 3 2 6 54.82 3.50 1.6745 2 6 2 6 55.99 19.58 1.6424 0 6 3 3 55.99 3.12 1.6424 6 0 3 3 56.50 13.88 1.6288 2 7 1 6 58.34 14.97 1.5817 5 5 0 6 58.62 3.76 1.5748 4 0 4 3 58.73 3.63 1.5721 4 5 2 6 59.07 2.62 1.5638 8 1 1 6 59.89 1.52 1.5444 3 2 4 6 60.33 5.11 1.5341 4 6 1 6 60.86 5.44 1.5220 9 0 0 3 61.24 4.76 1.5135 7 2 2 6 61.58 1.68 1.5060 7 3 1 6 62.10 4.12 1.4946 8 2 0 6 62.38 14.30 1.4887 0 5 4 3 63.60 3.96 1.4630 2 4 4 6 63.70 1.23 1.4609 1 8 2 6 64.77 3.71 1.4394 1 7 3 6 64.81 15.44 1.4386 5 1 4 6 64.91 5.70 1.4366 6 4 2 6 65.74 4.79 1.4204 7 4 0 6 66.23 2.82 1.4112 0 1 5 3 66.43 7.88 1.4074 6 5 1 6 66.43 2.32 1.4074 1 9 1 6 67.15 1.99 1.3940 3 6 3 6 67.15 4.28 1.3940 6 3 3 6 67.19 13.26 1.3932 4 3 4 6 68.78 1.57 1.3648 3 8 1 6 69.95 10.47 1.3450 10 0 1 3 70.79 3.83 1.3310 5 6 2 6 71.10 1.04 1.3259 9 2 1 6 71.59 5.13 1.3181 6 6 0 6 71.80 3.81 1.3147 5 5 3 6 71.84 1.24 1.3141 7 0 4 3 71.84 3.53 1.3141 3 5 4 6 72.06 3.24 1.3107 0 4 5 3 72.73 10.51 1.3002 10 1 0 6 72.98 1.83 1.2963 6 2 4 6 73.08 2.66 1.2948 8 3 2 6 73.20 2.61 1.2930 2 3 5 6 73.39 1.60 1.2901 5 7 1 6 74.08 1.12 1.2798 9 0 3 3 74.21 1.71 1.2778 0 10 2 3 74.52 1.04 1.2733 8 4 1 6 75.00 4.65 1.2664 9 3 0 6 75.21 1.98 1.2634 2 8 3 6 75.46 10.78 1.2598 5 0 5 3 76.37 3.15 1.2470 5 4 4 6 77.89 3.72 1.2265 0 11 1 3 78.70 1.63 1.2159 4 8 2 6 79.00 1.36 1.2120 2 10 1 6 79.92 2.28 1.2004 3 4 5 6 81.40 1.50 1.1823 0 0 6 1 82.12 1.54 1.1736 6 1 5 6 82.31 3.11 1.1715 11 1 1 6 84.69 1.38 1.1445 3 0 6 3 85.17 6.28 1.1393 10 1 3 6 87.35 1.70 1.1164 9 3 3 6 87.39 1.14 1.1160 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.