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Title: Materials Data on Zn3Sb2O7 by Materials Project

Abstract

Zn3Sb2O7 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with eight equivalent SbO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 66–80°. There are a spread of Zn–O bond distances ranging from 2.04–2.09 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with five equivalent SbO6 octahedra and corners with six equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–80°. There are a spread of Zn–O bond distances ranging from 2.02–2.07 Å. Sb4+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with five equivalent SbO6 octahedra and corners with nine ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–55°. There are a spread of Sb–O bond distances ranging from 2.09–2.29 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Zn2+ and one Sb4+ atom to form distorted corner-sharing OZn3Sb tetrahedra. In the second O2- site,more » O2- is bonded in a trigonal planar geometry to one Zn2+ and two equivalent Sb4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+ and two equivalent Sb4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Zn2+ and two equivalent Sb4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mvc-14196
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zn3Sb2O7; O-Sb-Zn
OSTI Identifier:
1319065
DOI:
https://doi.org/10.17188/1319065

Citation Formats

The Materials Project. Materials Data on Zn3Sb2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319065.
The Materials Project. Materials Data on Zn3Sb2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1319065
The Materials Project. 2020. "Materials Data on Zn3Sb2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1319065. https://www.osti.gov/servlets/purl/1319065. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1319065,
title = {Materials Data on Zn3Sb2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn3Sb2O7 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with eight equivalent SbO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 66–80°. There are a spread of Zn–O bond distances ranging from 2.04–2.09 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with five equivalent SbO6 octahedra and corners with six equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–80°. There are a spread of Zn–O bond distances ranging from 2.02–2.07 Å. Sb4+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with five equivalent SbO6 octahedra and corners with nine ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–55°. There are a spread of Sb–O bond distances ranging from 2.09–2.29 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Zn2+ and one Sb4+ atom to form distorted corner-sharing OZn3Sb tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Zn2+ and two equivalent Sb4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+ and two equivalent Sb4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Zn2+ and two equivalent Sb4+ atoms.},
doi = {10.17188/1319065},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}