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

Chem. Met. Alloys 6 (2013) 1-6

https://doi.org/10.30970/cma6.0230

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 R_B = 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; D_x = 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