Materials Data on SrY2O4 by Materials Project
Abstract
SrY2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.92 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Y–O bond distances ranging from 2.23–2.38 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Y–O bond distances ranging from 2.27–2.35 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Y3+ atoms to form a mixture of distorted corner and edge-sharing OSr2Y3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Y3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Y3+ atoms to form amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-17275
- 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; SrY2O4; O-Sr-Y
- OSTI Identifier:
- 1192427
- DOI:
- https://doi.org/10.17188/1192427
Citation Formats
The Materials Project. Materials Data on SrY2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192427.
The Materials Project. Materials Data on SrY2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1192427
The Materials Project. 2020.
"Materials Data on SrY2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1192427. https://www.osti.gov/servlets/purl/1192427. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192427,
title = {Materials Data on SrY2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrY2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.92 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Y–O bond distances ranging from 2.23–2.38 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Y–O bond distances ranging from 2.27–2.35 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Y3+ atoms to form a mixture of distorted corner and edge-sharing OSr2Y3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Y3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Y3+ atoms to form a mixture of corner and edge-sharing OSr2Y3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Y3+ atoms.},
doi = {10.17188/1192427},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}