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 15.8171 15.8171 7.0935 90 90 120 R3m atom x y z occ Uiso NaX 0 0 .25 .46 .0278 CaX 0 0 .25 .01 .0278 AlY .12150 .06075 -.3364 .783 .0087 LiY .12150 .06075 -.3364 .107 .0087 Mn2Y .12150 .06075 -.3364 .093 .0087 Fe2Y .12150 .06075 -.3364 .013 .0087 Ti4Y .12150 .06075 -.3364 .004 .0087 AlZ .29652 .26001 -.3646 .00795 SiT .19152 .18960 .0302 .918 .00585 AlT .19152 .18960 .0302 .042 .00585 BT .19152 .18960 .0302 .040 .00585 B .10969 .21937 .4801 .0084 O1 0 0 -.2049 .86 .0148 OH1 0 0 -.2049 .10 .0148 F1 0 0 -.2049 .04 .0148 O2 .06064 .12128 .5202 .0134 O3 .25794 .12897 -.4638 .0128 O4 .09530 .19060 .1038 .0133 O5 .18804 .09402 .1252 .0138 O6 .19336 .18311 -.1976 .0101 O7 .28715 .28675 .1038 .0093 O8 .20954 .27049 .4646 .0098 H3 .246 .1231 .415 .933 .054