The antiferromagnetic structures of KFeS 2, RbFeS 2, KFeSe 2, and RbFeSe 2 and the correlation between magnetic moments and crystal field calculations
Abstract
The ternary compounds KFeS 2, RbFeS 2, KFeSe 2, and RbFeSe 2 were prepared and their crystal structures were determined from single-crystal diffractometer data. The atomic arrangement in the isotypic compounds (space group {C2}/{c}) is characterized by tetrahedra of chalcogen atoms. Those tetrahedra are centered by iron ions and linked by edges, thus forming chains of 1∞[ FeX -{4}/{2}] frameworks ( X ≙ S or Se). Susceptibility measurements are reported. Neutron difraction experiments on powdered samples revealed magnetic structures in the antiferromagnetically ordered state. The magnetic moments of the iron ions shows a significant dependence of the atomic arrangement. Therefore calculations based on a simple point charge model are discussed to correlate the magnetic moments and crystal field splittings.
- Publication:
-
Journal of Solid State Chemistry France
- Pub Date:
- October 1987
- DOI:
- 10.1016/0022-4596(87)90065-X
- Bibcode:
- 1987JSSCh..70..262B