Materials Data on SrPuO4 by Materials Project
SrPuO4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.54 Å) and two longer (2.59 Å) Sr–O bond lengths. Pu6+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (1.97 Å) and six longer (2.33 Å) Pu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sr2+ and one Pu6+ atom to form a mixture of distorted corner and edge-sharing OSr3Pu tetrahedra. In the second O2- site, O2- is bonded to one Sr2+ and three equivalent Pu6+ atoms to form a mixture of distorted corner and edge-sharing OSrPu3 tetrahedra.
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