Materials Data on ZnSbO3 by Materials Project
ZnSbO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with eight SbO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 63–79°. There are three shorter (2.03 Å) and one longer (2.14 Å) Zn–O bond lengths. In the second Zn site, Zn is bonded to four O atoms to form distorted ZnO4 tetrahedra that share corners with eight SbO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 60–81°. There are a spread of Zn–O bond distances ranging from 2.03–2.19 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and corners with eight ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–53°. There are a spread of Sb–O bond distances ranging from 2.25–2.29 Å. In the second Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and corners with eight ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–51°. There are a spread of Sb–O bond distances ranging from 1.98–2.22 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to one Zn and two Sb atoms. In the second O site, O is bonded in a trigonal planar geometry to one Zn and two Sb atoms. In the third O site, O is bonded to two Zn and two equivalent Sb atoms to form distorted corner-sharing OZn2Sb2 tetrahedra. In the fourth O site, O is bonded to two Zn and two equivalent Sb atoms to form distorted corner-sharing OZn2Sb2 tetrahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1320780
- Report Number(s):
- mvc-3953
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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