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Title: Materials Data on Sr2ZnReO6 by Materials Project

Abstract

Sr2ReZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.19 Å. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 16–17°. There is two shorter (1.94 Å) and four longer (1.95 Å) Re–O bond length. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 16–17°. All Zn–O bond lengths are 2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+, one Re6+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+, one Re6+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Re6+, and one Zn2+ atom.

Publication Date:
Other Number(s):
mp-559614
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; Sr2ZnReO6; O-Re-Sr-Zn
OSTI Identifier:
1270948
DOI:
https://doi.org/10.17188/1270948

Citation Formats

The Materials Project. Materials Data on Sr2ZnReO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270948.
The Materials Project. Materials Data on Sr2ZnReO6 by Materials Project. United States. doi:https://doi.org/10.17188/1270948
The Materials Project. 2020. "Materials Data on Sr2ZnReO6 by Materials Project". United States. doi:https://doi.org/10.17188/1270948. https://www.osti.gov/servlets/purl/1270948. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1270948,
title = {Materials Data on Sr2ZnReO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2ReZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.19 Å. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 16–17°. There is two shorter (1.94 Å) and four longer (1.95 Å) Re–O bond length. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 16–17°. All Zn–O bond lengths are 2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+, one Re6+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+, one Re6+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Re6+, and one Zn2+ atom.},
doi = {10.17188/1270948},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}