American Mineralogist Crystal Structure Database

1 matching records for this search.

Darrellhenryite
 
Novak M, Ertl A, Povondra P, Galiova M V, Rossman G R, Pristacz H, Prem M, Giester G, Gadas P, Skoda R
 
American Mineralogist 98 (2013) 1886-1892
Darrellhenryite, Na(LiAl2)Al6(BO3)3Si6O18(OH)3O, a new mineral from the tourmaline supergroup
Locality: Nova Ves near Cesky Krumlov, southern Bohemia, Moldanubian Zone, Czech Republic
_database_code_amcsd 0020016
15.809 15.809 7.0890 90 90 120 R3m
atom       x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
NaX        0       0  .7509 .561  .0199  .0212  .0212  .0175  .0106       0       0
AlY   .87800 .939002 .34846 .651 .00677  .0075 .00515  .0084 .00374 -.00232 -.00116
LiY   .87800 .939002 .34846 .349 .00677  .0075 .00515  .0084 .00374 -.00232 -.00116
AlZ  .703468 .740173 .37588      .00539 .00528 .00675 .00442 .00321  .00018  .00073
SiT  .808235 .810265 .98406      .00450 .00462 .00423 .00461 .00218 -.00016 -.00036
B     .89096  .78193 .53067      .00565  .0056  .0054  .0059  .0027 -.00001   .0000
O1         0       0  .2079  .66  .0252  .0318  .0318  .0120  .0159       0       0
F1         0       0  .2079  .34  .0252  .0318  .0318  .0120  .0159       0       0
O2    .93962  .87924 .49377      .01253  .0173  .0047  .0114 .00233  .00045   .0009
O3    .73727  .86864 .47722      .01241  .0264  .0108  .0052  .0132  -.0019 -.00093
O4    .90589  .81179 .91064      .00847  .0070  .0130  .0074 .00648 -.00047  -.0009
O5    .81242  .90621 .88830      .00912  .0148  .0074  .0076  .0074   .0014  .00070
O6    .80533  .81595 .21009      .00702  .0069  .0084  .0048 .00318  .00007 -.00066
O7    .71341  .71375 .90703      .00641  .0058  .0059  .0055 .00145  .00025 -.00102
O8    .79052  .72987 .54631      .00707  .0048  .0086  .0077 .00321  .00082  .00302
H3      .740   .8700   .600        .051
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