Materials Data on Sr3W2O9 by Materials Project
Abstract
Sr3W2O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five O2- atoms to form distorted SrO5 trigonal bipyramids that share corners with four WO4 tetrahedra, a cornercorner with one SrO5 trigonal bipyramid, and edges with two equivalent SrO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.35–2.62 Å. In the second Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with two equivalent SrO6 octahedra, corners with four WO4 tetrahedra, and edges with four SrO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are a spread of Sr–O bond distances ranging from 2.37–2.65 Å. In the third Sr2+ site, Sr2+ is bonded to five O2- atoms to form distorted SrO5 trigonal bipyramids that share corners with four WO4 tetrahedra, a cornercorner with one SrO5 trigonal bipyramid, and edges with two equivalent SrO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.35–2.63 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share cornersmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-772582
- 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; Sr3W2O9; O-Sr-W
- OSTI Identifier:
- 1301359
- DOI:
- https://doi.org/10.17188/1301359
Citation Formats
The Materials Project. Materials Data on Sr3W2O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1301359.
The Materials Project. Materials Data on Sr3W2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1301359
The Materials Project. 2020.
"Materials Data on Sr3W2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1301359. https://www.osti.gov/servlets/purl/1301359. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1301359,
title = {Materials Data on Sr3W2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3W2O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five O2- atoms to form distorted SrO5 trigonal bipyramids that share corners with four WO4 tetrahedra, a cornercorner with one SrO5 trigonal bipyramid, and edges with two equivalent SrO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.35–2.62 Å. In the second Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with two equivalent SrO6 octahedra, corners with four WO4 tetrahedra, and edges with four SrO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are a spread of Sr–O bond distances ranging from 2.37–2.65 Å. In the third Sr2+ site, Sr2+ is bonded to five O2- atoms to form distorted SrO5 trigonal bipyramids that share corners with four WO4 tetrahedra, a cornercorner with one SrO5 trigonal bipyramid, and edges with two equivalent SrO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.35–2.63 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with two equivalent SrO6 octahedra and corners with four SrO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are a spread of W–O bond distances ranging from 1.80–1.83 Å. In the second W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with two equivalent SrO6 octahedra and corners with four SrO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There is two shorter (1.80 Å) and two longer (1.83 Å) W–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sr2+ atoms to form corner-sharing OSr4 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one W6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Sr2+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Sr2+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one W6+ atom. In the seventh O2- site, O2- is bonded in a linear geometry to one Sr2+ and one W6+ atom.},
doi = {10.17188/1301359},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}