American Mineralogist Crystal Structure Database

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Dravite
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Marschall H R, Ertl A, Hughes J M, McCammon C A
 
European Journal of Mineralogy 16 (2004) 817-823
Metamorphic Na- and OH-rich disordered dravite with tetrahedral boron,
associated with omphacite, from Syros, Greece: chemistry and structure
Sample: SY309B
Locality: Syros, Greece
_database_code_amcsd 0007080
15.9443 15.9443 7.2094 90 90 120 R3m
atom       x       y      z occ  Uiso
NaX        0       0    .25 .96 .0245
CaX        0       0    .25 .02 .0245
MgY   .12515 .062575 -.3614 .43 .0112
AlY   .12515 .062575 -.3614 .33 .0112
Fe2+Y .12515 .062575 -.3614 .15 .0112
Fe3+Y .12515 .062575 -.3614 .06 .0112
TiY   .12515 .062575 -.3614 .02 .0112
AlZ   .29829  .26178 -.3812 .82 .0077
MgZ   .29829  .26178 -.3812 .18 .0077
SiT   .19184  .18997  .0060 .97 .0057
BT    .19184  .18997  .0060 .03 .0057
B     .11005  .22010  .4618     .0091
OH1        0       0 -.2196 .93 .0162
F1         0       0 -.2196 .07 .0162
O2    .06101  .12202  .4917     .0141
O3     .2654   .1327 -.4816     .0140
O4    .09298  .18596  .0755     .0124
O5     .1840   .0920  .0966     .0126
O6    .19632  .18627 -.2160     .0108
O7    .28478  .28470  .0860     .0105
O8    .20952  .27031  .4477     .0119
H3      .266    .133   .389       .02
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