Materials Data on CaReH4ClO6 by Materials Project
(CaRe(H2O3)2)2Cl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional and consists of four hydrochloric acid molecules and one CaRe(H2O3)2 framework. In the CaRe(H2O3)2 framework, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.40–2.61 Å. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. All Re–O bond lengths are 1.75 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Ca2+ and one Re7+ atom. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Ca2+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a linear geometry to one Ca2+ 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:
- 1311553
- Report Number(s):
- mp-866312
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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