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Rossmanite |
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Ertl A, Rossman G R, Hughes J M, Prowatke S, Ludwig T |
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American Mineralogist 90 (2005) 481-487 |
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Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from |
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Austria: Structure, chemistry, and infrared and optical spectroscopic study |
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Sample: REDT1 |
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Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 |
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(Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] |
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Tourmaline |
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Locality: Eibenstein an der Thaya, Lower Austria |
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_database_code_amcsd 0003738 |
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15.8031 15.8031 7.0877 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .25 .46 .0275 |
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CaX 0 0 .25 .01 .0275 |
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AlY .12146 .06073 -.3362 .790 .00814 |
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LiY .12146 .06073 -.3362 .110 .00814 |
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Mn2Y .12146 .06073 -.3362 .083 .00814 |
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Fe2Y .12146 .06073 -.3362 .013 .00814 |
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Ti4Y .12146 .06073 -.3362 .003 .00814 |
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AlZ .29651 .25999 -.3643 .00762 |
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SiT .19154 .18958 .0303 .912 .00598 |
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BT .19154 .18958 .0303 .042 .00598 |
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AlT .19154 .18958 .0303 .047 .00598 |
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B .10956 .21912 .4803 .0077 |
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O1 0 0 -.2052 .86 .0149 |
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OH1 0 0 -.2052 .10 .0149 |
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F1 0 0 -.2052 .04 .0149 |
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O2 .06065 .12131 .5205 .0130 |
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O3 .25787 .12893 -.4636 .0126 |
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O4 .09524 .19049 .1043 .0124 |
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O5 .18806 .09403 .1258 .0127 |
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O6 .19340 .18302 -.1974 .00945 |
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O7 .28717 .28662 .1044 .00906 |
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O8 .20959 .27052 .4649 .00910 |
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H3 .251 .1256 .423 .95 .053 |
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