Macedonite
Glazer A M, Mabud S A
Acta Crystallographica B34 (1978) 1065-1070
Powder profile refinement of lead zirconate titanate at several temperatures.
II. Pure PbTiO3
Locality: synthetic
Sample: T = 550 C
_database_code_amcsd 0009632
3.97 3.97 3.97 90 90 90 P4/mmm
atom  x  y  z  Biso  B(1,1)  B(2,2)  B(3,3) B(1,2) B(1,3) B(2,3)
Pb    0  0  0 2.711 .042986 .042986 .042986      0      0      0
Ti   .5 .5 .5  .694 .011341 .011341 .011341      0      0      0
O1   .5 .5  0 1.549 .013974 .013974 .047459      0      0      0
O2   .5  0 .5 1.549 .013974 .047459 .013974      0      0      0