U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y7ReO14 by Materials Project
Abstract
Y7ReO14 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are four inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.50–2.53 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form distorted YO6 octahedra that share corners with two equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.26 Å) and two longer (2.27 Å) Y–O bond lengths. In the third Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.70 Å. In the fourth Y3+ site, Y3+ is bonded to eight O2- atoms to form distorted YO8 hexagonal bipyramids that share edges with two equivalent ReO6 octahedra. There are a spread of Y–O bond distances ranging from 2.24–2.75 Å. Re7+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent YO6 octahedra and edges with two equivalent YO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There is four shorter (1.87 Å) andmore »
- Publication Date:
- Other Number(s):
- mp-38807
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; O-Re-Y; Y7ReO14; crystal structure
- OSTI Identifier:
- 1207566
- DOI:
- https://doi.org/10.17188/1207566
Citation Formats
Materials Data on Y7ReO14 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207566.
Materials Data on Y7ReO14 by Materials Project. United States. doi:https://doi.org/10.17188/1207566
2020.
"Materials Data on Y7ReO14 by Materials Project". United States. doi:https://doi.org/10.17188/1207566. https://www.osti.gov/servlets/purl/1207566. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1207566,
title = {Materials Data on Y7ReO14 by Materials Project},
abstractNote = {Y7ReO14 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are four inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.50–2.53 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form distorted YO6 octahedra that share corners with two equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.26 Å) and two longer (2.27 Å) Y–O bond lengths. In the third Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.70 Å. In the fourth Y3+ site, Y3+ is bonded to eight O2- atoms to form distorted YO8 hexagonal bipyramids that share edges with two equivalent ReO6 octahedra. There are a spread of Y–O bond distances ranging from 2.24–2.75 Å. Re7+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent YO6 octahedra and edges with two equivalent YO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There is four shorter (1.87 Å) and two longer (1.92 Å) Re–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the third O2- site, O2- is bonded to three Y3+ and one Re7+ atom to form a mixture of distorted edge and corner-sharing OY3Re tetrahedra. In the fourth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Y3+ and one Re7+ atom.},
doi = {10.17188/1207566},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}