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Title: Materials Data on Zn2SnO4 by Materials Project

Abstract

Zn2SnO4 is Spinel-like structured and crystallizes in the orthorhombic Imma 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 ZnO4 tetrahedra that share corners with six equivalent ZnO6 octahedra and corners with six equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–60°. There are two shorter (2.01 Å) and two longer (2.05 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent ZnO4 tetrahedra, edges with two equivalent ZnO6 octahedra, and edges with four equivalent SnO6 octahedra. There are four shorter (2.12 Å) and two longer (2.20 Å) Zn–O bond lengths. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent ZnO4 tetrahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent ZnO6 octahedra. There are two shorter (2.07 Å) and four longer (2.13 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Zn2+ and one Sn4+ atom to form a mixture of distorted edgemore » and corner-sharing OZn3Sn trigonal pyramids. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Zn2+ and two equivalent Sn4+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35493
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zn2SnO4; O-Sn-Zn
OSTI Identifier:
1207001
DOI:
10.17188/1207001

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Zn2SnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207001.
Persson, Kristin, & Project, Materials. Materials Data on Zn2SnO4 by Materials Project. United States. doi:10.17188/1207001.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Zn2SnO4 by Materials Project". United States. doi:10.17188/1207001. https://www.osti.gov/servlets/purl/1207001. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1207001,
title = {Materials Data on Zn2SnO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Zn2SnO4 is Spinel-like structured and crystallizes in the orthorhombic Imma 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 ZnO4 tetrahedra that share corners with six equivalent ZnO6 octahedra and corners with six equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–60°. There are two shorter (2.01 Å) and two longer (2.05 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent ZnO4 tetrahedra, edges with two equivalent ZnO6 octahedra, and edges with four equivalent SnO6 octahedra. There are four shorter (2.12 Å) and two longer (2.20 Å) Zn–O bond lengths. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent ZnO4 tetrahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent ZnO6 octahedra. There are two shorter (2.07 Å) and four longer (2.13 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Zn2+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OZn3Sn trigonal pyramids. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Zn2+ and two equivalent Sn4+ atoms.},
doi = {10.17188/1207001},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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