Sugahara M, Yoshiasa A, Yoneda A, Hashimoto T, Sakai S, Okube M,
Nakatsuka A, Ohtaka O
American Mineralogist 93 (2008) 1148-1152
Single-crystal X-ray diffraction study of CaIrO3
Note: post-perovskite structure
Locality: Synthetic
_database_code_amcsd 0004613
3.1472 9.8655 7.3018 90 90 90 Cmcm
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca 0 .7492 .25 .40 .0027 .0080 .0045 0 0 0
Ir 0 0 0 .32 .0026 .00624 .0033 0 0 .0040
O1 0 .0779 .25 .70 .0115 .0042 .0108 0 0 0
O2 0 .3658 .4452 .79 .0111 .0076 .0113 0 0 -.0029
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