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Title: The Crystal Structure and Magnetic Behavior of Quinary Osmate and Ruthenate Double Perovskites La ABB'O 6 ( A = Ca, Sr; B = Co, Ni; B' = Ru, Os)

In this work, six LaABB'O 6 (A = Ca, Sr; B = Co, Ni; B' = Ru, Os) double perovskites were synthesized, several for the first time, and their crystal structures and magnetic behavior were characterized with neutron powder diffraction and direct-current and alternating-current magnetometry. All six compounds crystallize with P2 1/n space group symmetry, resulting from a a c + octahedral tilting and complete rock salt ordering of transition-metal ions. Despite the electronic configurations of the transition-metal ions, either d 8–d 3 or d 7–d 3, not one of the six compounds shows ferromagnetism as predicted by the Goodenough–Kanamori rules. LaSrNiOsO 6, LaSrNiRuO 6, and LaCaNiRuO 6 display long-range antiferromagnetic order, while LaCaNiOsO 6, LaCaCoOsO 6, and LaSrCoOsO 6 exhibit spin-glass behavior. These compounds are compared to the previously studied LaCaCoRuO 6 and LaSrCoRuO 6, both of which order antiferromagnetically. Lastly, the observed variations in magnetic properties can be attributed largely to the response of competing superexchange pathways due to changes in B–O–B' bond angles, differences in the radial extent of the 4d (B' = Ru) and 5d (B' = Os) orbitals, and filling of the t 2g orbitals of the 3d ion.
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [3] ; ORCiD logo [1]
  1. The Ohio State Univ., Columbus, OH (United States). Department of Chemistry and Biochemistry
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division; Univ. of Tennessee, Knoxville, TN (United States). Department of Materials Science and Engineering
Publication Date:
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 57; Journal Issue: 6; Journal ID: ISSN 0020-1669
American Chemical Society (ACS)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
Country of Publication:
United States
OSTI Identifier: