Calcium chloride rhenate(VII) dihydrate

Area of Science:

• Inorganic Chemistry
• Crystallography
• Solid-State Chemistry

Background:

• Calcium chloride rhenate(VII) dihydrate (CaCl(ReO4).2H2O) is an inorganic compound with potential applications in materials science.
• Understanding its crystal structure is crucial for predicting its physical and chemical properties.

Purpose of the Study:

• To determine the detailed crystal structure of calcium chloride rhenate(VII) dihydrate.
• To analyze the coordination environment of calcium ions and the bonding interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction at low temperature (85 K).
• Analysis of atomic positions, site symmetries, and coordination geometry.
• Identification of stabilizing interactions such as coordination bonds and hydrogen bonds.

Main Results:

• The crystal structure at 85 K comprises calcium cations, chloride anions, rhenate(VII) anions, and water molecules.
• The rhenate(VII) anion exhibits a nearly tetrahedral geometry with specific site symmetries.
• Calcium ions are eight-coordinated in a distorted square-antiprismatic mode, forming Ca-O coordination bonds.
• The structure is layered, stabilized by Ca-O bonds and O-H...Cl hydrogen bonds.

Conclusions:

• The detailed crystal structure of CaCl(ReO4).2H2O has been elucidated.
• The layered structure is primarily stabilized by coordination bonds and hydrogen bonding networks.
• The findings provide fundamental insights into the structural characteristics of rhenate(VII) compounds.