Materials Data on KRe2O4F7 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1268835
- Report Number(s):
- mp-555490
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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