Baddeleyite
Smith D K, Newkirk H W
Acta Crystallographica 18 (1965) 983-991
The crystal structure of baddeleyite (monoclinic ZrO2)
and its relation to the polymorphism of ZrO2
_database_code_amcsd 0009296
5.145 5.2075 5.3107 90 99.23 90 P2_1/c
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zr   .2758 .0411 .2082 .303  .0029 -.0008  .0013 -.0003  .0016  .0003
O1   .0703 .3359 .3406 .317  .0098  .0024  .0038  .0028 -.0019 -.0045
O2   .4423 .7549 .4789 .229  .0102  .0025  .0017  .0013  .0020  .0007