American Mineralogist Crystal Structure Database

1 matching records for this search.

CaIrO3
 
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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