U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KRe2O4F7 by Materials Project
Abstract
KRe2O4F7 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of two KRe2O4F7 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 8-coordinate geometry to two equivalent O2- and six F1- atoms. Both K–O bond lengths are 3.07 Å. There are a spread of K–F bond distances ranging from 2.78–2.92 Å. Re7+ is bonded to two O2- and four F1- atoms to form distorted corner-sharing ReO2F4 octahedra. The corner-sharing octahedral tilt angles are 37°. There is one shorter (1.71 Å) and one longer (1.72 Å) Re–O bond length. There are a spread of Re–F bond distances ranging from 1.89–2.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+ and one Re7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one Re7+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Re7+ atoms. In the third F1- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-555490
- 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; KRe2O4F7; F-K-O-Re
- OSTI Identifier:
- 1268835
- DOI:
- https://doi.org/10.17188/1268835
Citation Formats
The Materials Project. Materials Data on KRe2O4F7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268835.
The Materials Project. Materials Data on KRe2O4F7 by Materials Project. United States. doi:https://doi.org/10.17188/1268835
The Materials Project. 2020.
"Materials Data on KRe2O4F7 by Materials Project". United States. doi:https://doi.org/10.17188/1268835. https://www.osti.gov/servlets/purl/1268835. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1268835,
title = {Materials Data on KRe2O4F7 by Materials Project},
author = {The Materials Project},
abstractNote = {KRe2O4F7 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of two KRe2O4F7 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 8-coordinate geometry to two equivalent O2- and six F1- atoms. Both K–O bond lengths are 3.07 Å. There are a spread of K–F bond distances ranging from 2.78–2.92 Å. Re7+ is bonded to two O2- and four F1- atoms to form distorted corner-sharing ReO2F4 octahedra. The corner-sharing octahedral tilt angles are 37°. There is one shorter (1.71 Å) and one longer (1.72 Å) Re–O bond length. There are a spread of Re–F bond distances ranging from 1.89–2.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+ and one Re7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one Re7+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Re7+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one Re7+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Re7+ atom.},
doi = {10.17188/1268835},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}