U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2ZnWO6 by Materials Project
Abstract
Sr2ZnWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.02 Å. In the second Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–3.03 Å. In the third Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.05 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.85 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 18–20°. There is one shorter (1.95 Å) and five longer (1.96 Å) W–O bond length. In the second W6+ site, W6+ is bonded to six O2- atoms to formmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1195362
- 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; Sr2ZnWO6; O-Sr-W-Zn
- OSTI Identifier:
- 1715731
- DOI:
- https://doi.org/10.17188/1715731
Citation Formats
The Materials Project. Materials Data on Sr2ZnWO6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1715731.
The Materials Project. Materials Data on Sr2ZnWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1715731
The Materials Project. 2019.
"Materials Data on Sr2ZnWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1715731. https://www.osti.gov/servlets/purl/1715731. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1715731,
title = {Materials Data on Sr2ZnWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2ZnWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.02 Å. In the second Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–3.03 Å. In the third Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.05 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.85 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 18–20°. There is one shorter (1.95 Å) and five longer (1.96 Å) W–O bond length. In the second W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 18–20°. All W–O bond lengths are 1.96 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six WO6 octahedra. The corner-sharing octahedra tilt angles range from 18–20°. There are a spread of Zn–O bond distances ranging from 2.12–2.14 Å. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six WO6 octahedra. The corner-sharing octahedra tilt angles range from 18–20°. There are one shorter (2.12 Å) and five longer (2.13 Å) Zn–O bond lengths. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+, one W6+, and one Zn2+ atom. In the tenth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom.},
doi = {10.17188/1715731},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}