ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
Neutron diffraction measurements of CuCl with the zincblende structure were carried out at room temperature and the results examined on the basis of three possible structure models: (1) harmonic thermal vibration of atoms, (2) asymmetric anharmonic vibrations and (3) statistical disorder arrangement of the copper atom. It was found that the anharmonic model was the most plausible for the structure of CuCl. The final R value in the least-squares analysis was 0.037. The parameters in the effective one-atomic-potential fields for the zincblende structure Vj(r) = V0j + ½αj(u21 + u22 + u23) + βju1u2u3 + . . . were obtained as αCu = 0.74 ± 0.01, αC1 = 1.35 ± 0.02 × 10-12erg Å-2, and βCu = 1.15 ± 0.66, βC1 = 0.0 ± 1.6 × 10-12erg Å-3. It is also shown that the temperature dependence of the Bragg reflexion observed from room temperature to 523°K can be explained very well with the use of the above parameters.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0567739474001574
