American Mineralogist Crystal Structure Database

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Graeserite
 
Biagioni C, Bonaccorsi E, Perchiazzi N, Halenius U, Zaccarini F
Mineralogical Magazine 84 (2020) 766-777
Derbylite and graeserite from the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy:
occurrence and crystal-chemistry
Note: Sample F
Locality: Monte Arsiccio mine, Apuan Alps, Italy
_database_code_amcsd 0020901
5.0225 14.3114 7.1743 90 104.878 90 C2/m
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
TiM1      0     .5     .5      .0102  .0096  .0073  .0128   .000  .0012   .000
TiM2    -.5 .61918     .5  .71 .0086  .0064  .0083  .0110   .000  .0017   .000
FeM2    -.5 .61918     .5  .29 .0086  .0064  .0083  .0110   .000  .0017   .000
TiM3 -.3810 .80959 .81403  .91 .0087  .0074  .0090  .0095  .0015  .0019  .0027
FeM3 -.3810 .80959 .81403  .09 .0087  .0074  .0090  .0095  .0015  .0019  .0027
As    -.253     .5   .914 .345  .012   .022  .0071   .006   .000   .003   .000
Sb    -.306     .5   .930 .155  .012   .022  .0071   .006   .000   .003   .000
O1   -.2712  .9021  .6618      .0157   .018   .012   .017  -.001   .004   .002
O2   -.2674  .7034  .6785      .0141   .010   .016   .016   .002   .002   .001
O3      -.5  .7122      0      .0120   .017   .008   .011   .000   .003   .000
O4      -.5  .9017      0      .0161   .017   .008   .024   .000   .007   .000
O5   -.2801     .5  .6486      .0172   .018   .018   .017   .000   .008   .000
Ba    -.493     .5 -.0123 .116 .0096
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