Rosenbuschite
Shibaeva R P, Simonov V I, Belov N V
Soviet Physics Crystallography 8 (1963) 406-413
Crystal structure of the Ca,Na,Zr,Ti silicate rosenbuschite, Ca3.5Na2.5Zr(Ti,Mn,Nb)[Si2O7]2F2O(F,O)
Locality: Kol'skii Peninsula, Russia
_database_code_amcsd 0015546
10.12 11.39 7.27 91.33 99.67 111.83 P-1
atom     x    y    z occ Biso
Zr    .355 .283 .092     1.00
Ti1      0    0    0  .5 1.00
Mn1      0    0    0  .5 1.00
Ti2      0   .5    0  .5 1.00
Mn2      0   .5    0  .5 1.00
Ca1   .365 .788 .092     1.00
Ca2   .365 .788 .583     1.00
Ca3   .003  .25 .754     1.00
Ca4      0    0   .5     1.00
Na1   .355 .283 .583     1.00
Na2  -.003  .25 .246     1.00
Na3      0   .5   .5     1.00
Si1   .285 .013 .347     1.00
Si2   .285 .013 .797     1.00
Si3   .283 .506 .347     1.00
Si4   .283 .506 .797     1.00
O1    .268 .013 .563     1.00
O2    .268 .506 .563     1.00
O3    .375 .156  .32     1.00
O4    .367 .156 .875     1.00
O5    .363 .918  .32     1.00
O6     .36 .918 .853     1.00
O7    .118 .967 .233     1.00
O8    .118 .967 .825     1.00
O9    .392  .65 .325     1.00
O10   .392  .65 .875     1.00
O11   .358 .402 .308     1.00
O12    .34 .402 .875     1.00
O13   .125 .467 .233     1.00
O14   .128 .472 .829     1.00
O15   .125 .183  .03     1.00
O16   .117 .683  .03     1.00
F1    .117 .208 .525     1.00
F2    .125   .7 .525     1.00