U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Re2O7 by Materials Project
Abstract
Re2O7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of two Re2O7 sheets oriented in the (0, 0, 1) direction. there are four inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share corners with two equivalent ReO6 octahedra and corners with two ReO4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of Re–O bond distances ranging from 1.72–2.19 Å. In the second Re7+ site, Re7+ is bonded to four O2- atoms to form corner-sharing ReO4 tetrahedra. The corner-sharing octahedra tilt angles range from 28–33°. There are a spread of Re–O bond distances ranging from 1.72–1.80 Å. In the third Re7+ site, Re7+ is bonded to four O2- atoms to form corner-sharing ReO4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are a spread of Re–O bond distances ranging from 1.72–1.81 Å. In the fourth Re7+ site, Re7+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share corners with two equivalent ReO6 octahedra and corners with two ReO4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of Re–O bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1016092
- 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; Re2O7; O-Re
- OSTI Identifier:
- 1338673
- DOI:
- https://doi.org/10.17188/1338673
Citation Formats
The Materials Project. Materials Data on Re2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1338673.
The Materials Project. Materials Data on Re2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1338673
The Materials Project. 2020.
"Materials Data on Re2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1338673. https://www.osti.gov/servlets/purl/1338673. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1338673,
title = {Materials Data on Re2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Re2O7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of two Re2O7 sheets oriented in the (0, 0, 1) direction. there are four inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share corners with two equivalent ReO6 octahedra and corners with two ReO4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of Re–O bond distances ranging from 1.72–2.19 Å. In the second Re7+ site, Re7+ is bonded to four O2- atoms to form corner-sharing ReO4 tetrahedra. The corner-sharing octahedra tilt angles range from 28–33°. There are a spread of Re–O bond distances ranging from 1.72–1.80 Å. In the third Re7+ site, Re7+ is bonded to four O2- atoms to form corner-sharing ReO4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are a spread of Re–O bond distances ranging from 1.72–1.81 Å. In the fourth Re7+ site, Re7+ is bonded to six O2- atoms to form distorted ReO6 octahedra that share corners with two equivalent ReO6 octahedra and corners with two ReO4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of Re–O bond distances ranging from 1.72–2.16 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Re7+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two Re7+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Re7+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Re7+ atoms. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two Re7+ atoms. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fourteenth O2- site, O2- is bonded in a bent 150 degrees geometry to two Re7+ atoms.},
doi = {10.17188/1338673},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}