Rossmanite
Selway J B, Novak M, Hawthorne F C, Cerny P, Ottolini L, Kyser T K
American Mineralogist 83 (1998) 896-900
Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline:
Description and crystal structure
Locality: Rozna, Moravia, Czech Republic
_database_code_amcsd 0002029
15.770 15.770 7.085 90 90 120 R3m
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX       0      0 .84080 .43  .0237  .0237  .0193 .01185      0      0
AlY  .06084 .93916  .4373 .72  .0051  .0051  .0079  .0014  .0012 -.0012
LiY  .06084 .93916  .4373 .28  .0051  .0051  .0079  .0014  .0012 -.0012
AlZ  .25942 .29637  .4656      .0069  .0046  .0045  .0029 -.0010 -.0001
SiT  .18965 .19163  .0721      .0041  .0045  .0050  .0021  .0005  .0002
B    .89078 .10922  .6198      .0053  .0053  .0051  .0021  .0000  .0000
OH1       0      0  .3015 .83  .0216  .0216  .0082  .0108      0      0
F1        0      0  .3015 .10  .0216  .0216  .0082  .0108      0      0
O1        0      0  .3015 .07  .0216  .0216  .0082  .0108      0      0
O2   .93952 .06048  .5809      .0138  .0138  .0108  .0112 -.0001  .0001
OH3  .12998 .87002  .5647      .0095  .0095  .0065 -.0012  .0011 -.0011
O4   .90516 .09484 -.0017      .0066  .0066  .0083 -.0001 -.0003  .0003
O5   .09386 .90614 -.0229      .0075  .0075  .0077 -.0001 -.0010  .0010
O6   .18346 .19363  .2988      .0081  .0079  .0051  .0034  .0003  .0000
O7   .28630 .28694 -.0034      .0054  .0062  .0061  .0017  .0014 -.0003
O8   .27035 .20965  .6359      .0087  .0049  .0079  .0035 -.0031 -.0009