Ionic model applied to vacancy ordering in NaCl-type materials

Journal Article · Tue Jul 15 04:00:00 EDT 1980 · J. Solid State Chem.; (United States)

DOI:https://doi.org/10.1016/0022-4596(80)90159-0· OSTI ID:7068431

Franzen, H F; Merrick, J A

An order-disorder transition in Sc/sub 0/ /sub 8/S (NaCl structure type) was studied by high-temperature X-ray diffraction and 700 +- 20/sup 0/C was found to be the ordering temperature. A group of ordered sublattices on the rock-salt lattice was generated and a Madelung energy and a configurational entropy were calculated for each assuming the lattice was made up of point charges. Mean field and pair interaction approximations were used to model long-range and short-range orderings, respectively. Results indicate that the ionic model is seriously in error in predicting short-range or long-range orderings of the type observed.

• Research Organization: Ames Lab., IA
• OSTI ID: 7068431
• Journal Information: J. Solid State Chem.; (United States), Journal Name: J. Solid State Chem.; (United States) Vol. 33:3; ISSN JSSCB
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
CHALCOGENIDES
COHERENT SCATTERING
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
CRYSTALS
DIFFRACTION
ENERGY
ENTROPY
FREE ENERGY
HIGH TEMPERATURE
IONIC CRYSTALS
LATTICE PARAMETERS
PHYSICAL PROPERTIES
POINT DEFECTS
SCANDIUM COMPOUNDS
SCANDIUM SULFIDES
SCATTERING
SULFIDES
SULFUR COMPOUNDS
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPOUNDS
VACANCIES
X-RAY DIFFRACTION