American Mineralogist Crystal Structure Database

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Pezzottaite
 
Gatta D G, Adamo I, Meven M, Lambruschi E
Physics and Chemistry of Minerals 39 (2012) 829-840
A single-crystal neutron and X-ray diffraction of pezzottaite
Note: Neutron data, T = 2.3 K
Locality: Sakavalana pegmatite, Ambatovita, Madagascar
_database_code_amcsd 0020678
15.95 15.95 27.86 90 90 120 R-3c
atom       x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs1        0       0  -.0820  .95 .0077  .0076  .0076   .008  .0038      0      0
Cs2        0       0     .25  .98 .0103   .011   .011  .0092  .0054      0      0
Na1        0       0       0  .19  .006
Na2        0       0  -.1612  .12  .006
Be1    .3383   .1706  .08428 .965 .0038
Li1    .3383   .1706  .08428 .035 .0038
Li2   .50362  .50362     .75 .852 .0038
Be2   .50362  .50362     .75 .148 .0038
Al1      2/3   .0001    1/12      .0018
Al2   -.0073     1/3    1/12      .0018
Si1    .0452   .2198  -.0008      .0016
Si2    .2192   .0502   .1647      .0015
Si3    .0503  -.1704   .1667      .0019
O1     .2763   .0643  .21556      .0016
O2     .0707   .2803 -.05097      .0017
O3     .0608  -.2301  .12359      .0056
O4     .2912   .0761  .11939      .0042
O5     .0493   .2826  .04384      .0045
O6     .0686  -.2023  .21810      .0038
O7    -.0591   .1197 -.00610      .0053
O8    -.0533  -.1730  .16554      .0036
O9     .1275  -.0557  .15937      .0044
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