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Title: Materials Data on Zn2SnSbO6 by Materials Project

Abstract

Zn2SnSbO6 crystallizes in the monoclinic P2_1/m 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 four equivalent SnO6 octahedra, corners with four equivalent SbO6 octahedra, and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 63–82°. There are a spread of Zn–O bond distances ranging from 2.03–2.12 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent SnO6 octahedra, corners with four equivalent SbO6 octahedra, and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 64–82°. There are a spread of Zn–O bond distances ranging from 2.02–2.17 Å. Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent SnO6 octahedra, corners with four equivalent SbO6 octahedra, and corners with eight ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of Sn–O bond distances ranging from 2.08–2.20 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners withmore » two equivalent SbO6 octahedra, corners with four equivalent SnO6 octahedra, and corners with eight ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of Sb–O bond distances ranging from 2.09–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+, one Sn3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+, one Sn3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two Zn2+ and two equivalent Sb5+ atoms to form distorted corner-sharing OZn2Sb2 tetrahedra. In the fourth O2- site, O2- is bonded to two Zn2+ and two equivalent Sn3+ atoms to form distorted corner-sharing OZn2Sn2 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mvc-3962
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; Zn2SnSbO6; O-Sb-Sn-Zn
OSTI Identifier:
1320795
DOI:
https://doi.org/10.17188/1320795

Citation Formats

The Materials Project. Materials Data on Zn2SnSbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320795.
The Materials Project. Materials Data on Zn2SnSbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1320795
The Materials Project. 2020. "Materials Data on Zn2SnSbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1320795. https://www.osti.gov/servlets/purl/1320795. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1320795,
title = {Materials Data on Zn2SnSbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn2SnSbO6 crystallizes in the monoclinic P2_1/m 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 four equivalent SnO6 octahedra, corners with four equivalent SbO6 octahedra, and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 63–82°. There are a spread of Zn–O bond distances ranging from 2.03–2.12 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent SnO6 octahedra, corners with four equivalent SbO6 octahedra, and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 64–82°. There are a spread of Zn–O bond distances ranging from 2.02–2.17 Å. Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent SnO6 octahedra, corners with four equivalent SbO6 octahedra, and corners with eight ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of Sn–O bond distances ranging from 2.08–2.20 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent SnO6 octahedra, and corners with eight ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of Sb–O bond distances ranging from 2.09–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+, one Sn3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+, one Sn3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two Zn2+ and two equivalent Sb5+ atoms to form distorted corner-sharing OZn2Sb2 tetrahedra. In the fourth O2- site, O2- is bonded to two Zn2+ and two equivalent Sn3+ atoms to form distorted corner-sharing OZn2Sn2 tetrahedra.},
doi = {10.17188/1320795},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}