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: X-ray data, T = 298 K
Locality: Sakavalana pegmatite, Ambatovita, Madagascar
_database_code_amcsd 0020677
15.9615 15.9615 27.8568 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 -.08208 .694 .0223  .0239  .0239  .0190  .0120      0      0
Cs2        0       0     .25 .764 .0294  .0338  .0338  .0209  .0169      0      0
Na1        0       0       0 .198  .003
Na2        0       0  -.1625 .083  .003
Be    .33791  .17045  .08404      .0083   .009   .009   .008   .005   .001  -.001
Li     .5031   .5031     .75      .0074   .006   .006   .006   .001   .001   .001
Al1      2/3  .00046    1/12      .0053  .0050  .0057  .0048  .0025  .0001  .0001
Al2  -.00541     1/3    1/12      .0047  .0053  .0037  .0046  .0019  .0001  .0001
Si1   .04509  .21954 -.00098      .0045  .0042  .0037  .0052  .0018  .0004  .0001
Si2   .21989  .05039  .16545      .0040  .0032  .0035  .0048  .0013 -.0002  .0001
Si3   .04999 -.17009  .16639      .0042  .0040  .0042  .0048  .0022 -.0006 -.0003
O1    .27627  .06425  .21526      .0104  .0118  .0101  .0072  .0040 -.0035  .0012
O2    .07013  .28069 -.05060      .0101  .0093  .0097  .0095  .0035 -.0005  .0039
O3    .06050 -.22828  .12297      .0148  .0174  .0199  .0121  .0132 -.0049 -.0093
O4    .28879  .07412  .11922      .0094  .0104  .0093  .0083  .0047  .0045  .0006
O5    .05203  .28245  .04471      .0134  .0167  .0083  .0116  .0035  .0052 -.0027
O6    .06834 -.20446  .21767      .0100  .0059  .0134  .0089  .0036  .0010  .0049
O7   -.05907  .12006 -.00504      .0116  .0064  .0077  .0192  .0025  .0012 -.0002
O8   -.05343 -.17373  .16592      .0112  .0060  .0112  .0173  .0049 -.0007  .0015
O9    .12653 -.05597  .16037      .0124  .0076  .0054  .0213  .0011 -.0009  .0015