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 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