Materials Data on ReI3 by Materials Project
ReI3 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one ReI3 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a see-saw-like geometry to four I1- atoms. There are a spread of Re–I bond distances ranging from 2.60–2.77 Å. In the second Re3+ site, Re3+ is bonded to five I1- atoms to form a mixture of distorted edge and corner-sharing ReI5 square pyramids. There are a spread of Re–I bond distances ranging from 2.65–3.01 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Re3+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the fourth I1- site, I1- is bonded in a 12-coordinate geometry to two Re3+ atoms. In the fifth I1- site, I1- is bonded in a single-bond geometry to one Re3+ atom. In the sixth I1- site, I1- is bonded in a 11-coordinate geometry to two equivalent Re3+ atoms.
- 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:
- 1276528
- Report Number(s):
- mp-573815
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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