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 = -183 C
_database_code_amcsd 0009629
3.895 3.895 4.171 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 .378 .001154 .001154  .003736      0      0      0
Ti   .5 .5  .54 .284 .003131 .003131 -.001150      0      0      0
O1   .5 .5 .118 .670 .006262 .006262  .023423      0      0      0
O2   .5  0 .621 .498 .015820 .008404  .016382      0      0      0