U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrZnO2 by Materials Project
Abstract
SrZnO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded to seven O2- atoms to form distorted SrO7 pentagonal bipyramids that share corners with four equivalent SrO7 pentagonal bipyramids, corners with four equivalent ZnO4 tetrahedra, edges with four equivalent SrO7 pentagonal bipyramids, edges with five equivalent ZnO4 tetrahedra, and faces with two equivalent SrO7 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.60–2.70 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent SrO7 pentagonal bipyramids, corners with four equivalent ZnO4 tetrahedra, and edges with five equivalent SrO7 pentagonal bipyramids. There are a spread of Zn–O bond distances ranging from 1.97–2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sr2+ and two equivalent Zn2+ atoms to form distorted OSr3Zn2 square pyramids that share corners with eight equivalent OSr4Zn2 octahedra, edges with four equivalent OSr4Zn2 octahedra, and edges with four equivalent OSr3Zn2 square pyramids. The corner-sharing octahedra tilt angles range from 27–62°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Zn2+ atoms to form distorted OSr4Zn2 octahedramore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-5637
- 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; SrZnO2; O-Sr-Zn
- OSTI Identifier:
- 1272400
- DOI:
- https://doi.org/10.17188/1272400
Citation Formats
The Materials Project. Materials Data on SrZnO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272400.
The Materials Project. Materials Data on SrZnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1272400
The Materials Project. 2020.
"Materials Data on SrZnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1272400. https://www.osti.gov/servlets/purl/1272400. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1272400,
title = {Materials Data on SrZnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrZnO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded to seven O2- atoms to form distorted SrO7 pentagonal bipyramids that share corners with four equivalent SrO7 pentagonal bipyramids, corners with four equivalent ZnO4 tetrahedra, edges with four equivalent SrO7 pentagonal bipyramids, edges with five equivalent ZnO4 tetrahedra, and faces with two equivalent SrO7 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.60–2.70 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent SrO7 pentagonal bipyramids, corners with four equivalent ZnO4 tetrahedra, and edges with five equivalent SrO7 pentagonal bipyramids. There are a spread of Zn–O bond distances ranging from 1.97–2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sr2+ and two equivalent Zn2+ atoms to form distorted OSr3Zn2 square pyramids that share corners with eight equivalent OSr4Zn2 octahedra, edges with four equivalent OSr4Zn2 octahedra, and edges with four equivalent OSr3Zn2 square pyramids. The corner-sharing octahedra tilt angles range from 27–62°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Zn2+ atoms to form distorted OSr4Zn2 octahedra that share corners with four equivalent OSr4Zn2 octahedra, corners with eight equivalent OSr3Zn2 square pyramids, edges with two equivalent OSr4Zn2 octahedra, edges with four equivalent OSr3Zn2 square pyramids, and faces with two equivalent OSr4Zn2 octahedra. The corner-sharing octahedral tilt angles are 62°.},
doi = {10.17188/1272400},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}