U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KRe4O8F13 by Materials Project
Abstract
KRe2O4F7(ReO2F3)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two ReO2F3 ribbons oriented in the (0, 1, 0) direction and two KRe2O4F7 sheets oriented in the (1, 0, 0) direction. In each ReO2F3 ribbon, Re7+ is bonded to two O2- and four F1- atoms to form distorted corner-sharing ReO2F4 octahedra. The corner-sharing octahedral tilt angles are 24°. Both Re–O bond lengths are 1.71 Å. There are a spread of Re–F bond distances ranging from 1.87–2.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Re7+ atoms. In each KRe2O4F7 sheet, K1+ is bonded in a 10-coordinate geometry to two equivalent O2- and eight F1- atoms. Both K–O bond lengthsmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-774754
- 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; KRe4O8F13; F-K-O-Re
- OSTI Identifier:
- 1302660
- DOI:
- https://doi.org/10.17188/1302660
Citation Formats
The Materials Project. Materials Data on KRe4O8F13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1302660.
The Materials Project. Materials Data on KRe4O8F13 by Materials Project. United States. doi:https://doi.org/10.17188/1302660
The Materials Project. 2020.
"Materials Data on KRe4O8F13 by Materials Project". United States. doi:https://doi.org/10.17188/1302660. https://www.osti.gov/servlets/purl/1302660. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1302660,
title = {Materials Data on KRe4O8F13 by Materials Project},
author = {The Materials Project},
abstractNote = {KRe2O4F7(ReO2F3)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two ReO2F3 ribbons oriented in the (0, 1, 0) direction and two KRe2O4F7 sheets oriented in the (1, 0, 0) direction. In each ReO2F3 ribbon, Re7+ is bonded to two O2- and four F1- atoms to form distorted corner-sharing ReO2F4 octahedra. The corner-sharing octahedral tilt angles are 24°. Both Re–O bond lengths are 1.71 Å. There are a spread of Re–F bond distances ranging from 1.87–2.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Re7+ atoms. In each KRe2O4F7 sheet, K1+ is bonded in a 10-coordinate geometry to two equivalent O2- and eight F1- atoms. Both K–O bond lengths are 3.04 Å. There are a spread of K–F bond distances ranging from 2.80–3.27 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 33°. 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 1.89–2.22 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 bent 150 degrees geometry to two equivalent K1+ and two equivalent Re7+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one Re7+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Re7+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one Re7+ atom.},
doi = {10.17188/1302660},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}