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
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.