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: REDT1
Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6
(Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04]
Tourmaline
Locality: Eibenstein an der Thaya, Lower Austria
_database_code_amcsd 0003738
CELL PARAMETERS: 15.8031 15.8031 7.0877 90.000 90.000 120.000
SPACE GROUP: R3m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1532.924
Density (g/cm3): 3.094
MAX. ABS. INTENSITY / VOLUME**2: 6.891187676
RIR: 0.725
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.20 10.08 7.9015 1 1 0 6
14.07 36.81 6.2938 1 0 1 3
18.02 23.86 4.9229 0 2 1 3
19.46 10.59 4.5620 3 0 0 3
21.26 54.14 4.1783 2 1 1 6
22.50 90.66 3.9508 2 2 0 6
25.97 55.78 3.4307 0 1 2 3
26.64 13.61 3.3461 1 3 1 6
28.98 5.26 3.0812 4 0 1 3
29.92 10.63 2.9865 4 1 0 6
30.58 63.63 2.9236 1 2 2 6
31.16 5.96 2.8707 3 2 1 6
34.63 6.04 2.5904 3 1 2 6
35.15 100.00 2.5534 0 5 1 3
37.00 2.62 2.4297 2 4 1 6
38.09 10.98 2.3626 0 0 3 1
38.30 15.90 2.3501 2 3 2 6
38.77 21.17 2.3224 5 1 1 6
39.51 1.53 2.2810 6 0 0 3
41.69 11.13 2.1663 5 0 2 3
42.14 10.95 2.1445 4 3 1 6
43.12 5.99 2.0979 0 3 3 3
43.12 4.76 2.0979 3 0 3 3
43.31 5.79 2.0892 4 2 2 6
44.69 10.56 2.0277 2 2 3 6
44.88 39.19 2.0198 1 5 2 6
45.29 8.17 2.0021 1 6 1 6
45.94 1.74 1.9754 4 4 0 6
47.89 31.14 1.8995 3 4 2 6
48.29 2.79 1.8847 3 5 1 6
48.29 1.46 1.8847 7 0 1 3
49.17 7.02 1.8529 1 4 3 6
49.73 7.98 1.8333 6 2 1 6
50.34 1.40 1.8127 7 1 0 6
50.77 1.34 1.7984 6 1 2 6
52.00 5.99 1.7587 3 3 3 6
52.04 2.50 1.7573 1 0 4 3
53.12 1.26 1.7243 6 3 0 6
53.41 1.88 1.7154 0 2 4 3
54.88 3.31 1.6731 2 6 2 6
56.04 19.41 1.6410 0 6 3 3
56.04 3.14 1.6410 6 0 3 3
56.55 13.72 1.6273 2 7 1 6
58.40 14.86 1.5803 5 5 0 6
58.68 3.68 1.5734 4 0 4 3
58.79 3.59 1.5708 4 5 2 6
59.13 2.65 1.5624 8 1 1 6
59.94 1.55 1.5431 3 2 4 6
60.39 5.00 1.5327 4 6 1 6
60.92 5.49 1.5207 9 0 0 3
61.30 4.69 1.5121 7 2 2 6
61.64 1.71 1.5047 7 3 1 6
62.16 4.17 1.4933 8 2 0 6
62.43 14.11 1.4875 0 5 4 3
63.66 3.91 1.4618 2 4 4 6
63.76 1.23 1.4596 1 8 2 6
64.83 3.67 1.4382 1 7 3 6
64.87 15.37 1.4374 5 1 4 6
64.97 5.64 1.4353 6 4 2 6
65.81 4.71 1.4192 7 4 0 6
66.29 2.76 1.4100 0 1 5 3
66.49 2.32 1.4062 1 9 1 6
66.49 7.81 1.4062 6 5 1 6
67.22 1.97 1.3928 3 6 3 6
67.22 4.25 1.3928 6 3 3 6
67.26 13.32 1.3921 4 3 4 6
68.85 1.52 1.3636 3 8 1 6
70.02 10.39 1.3438 10 0 1 3
70.86 3.75 1.3298 5 6 2 6
71.17 1.04 1.3247 9 2 1 6
71.66 5.10 1.3169 6 6 0 6
71.87 3.75 1.3135 5 5 3 6
71.91 1.20 1.3129 7 0 4 3
71.91 3.50 1.3129 3 5 4 6
72.13 3.23 1.3096 0 4 5 3
72.81 10.46 1.2990 10 1 0 6
73.06 1.81 1.2952 6 2 4 6
73.15 2.63 1.2937 8 3 2 6
73.27 2.54 1.2920 2 3 5 6
73.46 1.60 1.2890 5 7 1 6
74.16 1.10 1.2787 9 0 3 3
74.29 1.69 1.2767 0 10 2 3
74.60 1.02 1.2722 8 4 1 6
75.08 4.62 1.2653 9 3 0 6
75.29 1.96 1.2623 2 8 3 6
75.53 10.67 1.2588 5 0 5 3
76.45 3.17 1.2459 5 4 4 6
77.97 3.69 1.2254 0 11 1 3
78.78 1.61 1.2148 4 8 2 6
79.08 1.36 1.2110 2 10 1 6
80.00 2.30 1.1994 3 4 5 6
81.48 1.53 1.1813 0 0 6 1
82.21 1.53 1.1726 6 1 5 6
82.40 3.09 1.1704 11 1 1 6
84.77 1.36 1.1436 3 0 6 3
85.26 6.23 1.1383 10 1 3 6
87.45 1.67 1.1154 9 3 3 6
87.48 1.13 1.1150 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.