Materials Data on Pr2SbO2 by Materials Project

Abstract

Pr2SbO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 4-coordinate geometry to four equivalent Sb2- and four O2- atoms. There are a spread of Pr–Sb bond distances ranging from 3.48–3.68 Å. There are a spread of Pr–O bond distances ranging from 2.33–2.37 Å. In the second Pr3+ site, Pr3+ is bonded in a 4-coordinate geometry to four equivalent Sb2- and four O2- atoms. There are a spread of Pr–Sb bond distances ranging from 3.49–3.70 Å. There are a spread of Pr–O bond distances ranging from 2.33–2.36 Å. Sb2- is bonded in a body-centered cubic geometry to eight Pr3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded to four Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.