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DOE OSTI2020

Materials Data on LaZnSbO by Materials Project

LaOZnSb is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four equivalent O2- atoms. All La–Sb bond lengths are 3.57 Å. All La–O bond lengths are 2.42 Å. Zn2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.75 Å. Sb3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Zn2+ atoms. O2- is bonded to four equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa4 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on La2ZnSbO6 by Materials Project

La2ZnSbO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La+2.50+ is bonded in a distorted trigonal planar geometry to nine equivalent O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.96 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 31°. All Zn–O bond lengths are 2.14 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 31°. All Sb–O bond lengths are 2.13 Å. O2- is bonded in a 5-coordinate geometry to three equivalent La+2.50+, one Zn2+, and one Sb5+ atom.

36 MATERIALS SCIENCE↗