Synthesis and structure determination of copper perrhenate, CuReO4

Copper(I) perrhenate, CuReO4, has been synthesized as a single-phase sample in sealed silica tubes at 500-800 deg. C, and its structure was determined for the first time by single-crystal X-ray diffraction. CuReO4 forms a new structure type derived from the diamond-structure and crystallizes in space group I41 cd with lattice parameters a=13.6965(5) A and c=7.7729(5) A, Z=16 (rotation method data acquisition using ω and φ scans, R 1=0.0191, wR 2=0.0403). Cu and Re atoms are tetrahedrally coordinated by O atoms, these tetrahedra are corner-shared, forming spirally twisted rings of 4-6-8-10-MeO4 like Si x O y -rings in some silicon dioxide modifications or aluminosilicates. According to low-temperature powder X-ray diffraction and differential thermal analysis, CuReO4 shows no phase transition down to 80 K and up to its melting point, 703 K. - Graphical abstract: Crystal structure of CuReO4 with tetrahedral coordination of Cu(I) and Re(VII) atoms represents a new structure type related to some silicon dioxides