ISSN:
1600-5767
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Geosciences
,
Physics
Notes:
Positional parameters (x, y, z) and anisotropic Debye–Waller factors B⊥ (normal to the xy plane) and B|| (parallel to the xy plane) have been determined for the Fe and Cl atoms in FeCl3 within the space group R{\bar 3} with a = 6.065, c = 17.42 Å. These are (0, 0, 1/3), BFe⊥ = 1.75 and BFe|| = 1.2 Å2 for the Fe atoms at 6(c) positions in the hexagonal-axis representation, and (0.358, 0, 0.078), BCl⊥ = 1.6 and BCl|| = 1.55 Å2 for the Cl atoms at 18(f) positions. In addition to the crystallographic parameters, the observed twinning is discussed using the possible variants of ABC and ACB stacking sequences, each of which has two variants with a 60° rotation of the chlorine lattice. One of the four twin variants is found to be strongly enhanced. The fit for these parameters yields a reliability factor R = \sum_{i} \parallel F^{i}_{\rm cal} \mid - \mid F^{i}_{\rm obs}\parallel / \sum_{i} \mid F^{i}_{\rm obs} \mid = 0.60.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0021889888013913
