X-ray Rietveld structure refinement and bond-valence analysis of chromium(III) orthoborate CrBO3

 

Chem. Met. Alloys 6 (2013) 1-6

 

Anastasiya SERGEEVA, Vasyl SIDEY

 

The crystal structure of chromium(III) orthoborate, CrBO3, has been refined using the Rietveld analysis of X-ray powder diffraction data. The refinement procedure was stopped when the intensity residual RB = 3.58% had been reached. CrBO3 crystallizes in the rhombohedral structure type of calcite, space group R-3c (No. 167), with the lattice parameters (in hexagonal axes) a = 4.5754(4) Å, c = 14.2514(15) Å; Z = 6; Dx = 4.273(1) g/cm3. The bond-valence analysis of the crystal structure of CrBO3 confirmed the reliability of the structural model obtained.

 

 

Fragment of the crystal structure of CrBO3: connectivity of the [BO3] coordination triangles and [CrO6] coordination octahedra

 

Keywords

Oxide materials / Chemical synthesis / Crystal structure / X-ray diffraction