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 = -115 C
_database_code_amcsd 0009630
3.899 3.899 4.167 90 90 90 P4mm
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 .757 .012334 .012334 .011662      0      0      0
Ti   .5 .5  .541 .364 .001480 .001480 .010078      0      0      0
O1   .5 .5 .1148 .713 .013649 .013649 .016269      0      0      0
O2   .5  0 .6208 .862 .011018 .004933 .018861      0      0      0