skip to main content


This content will become publicly available on January 5, 2019

Title: YCrWO 6: Polar and Magnetic Oxide with CaTa 2O 6-Related Structure

Here, a new polar and magnetic oxide, YCrWO 6, was successfully synthesized and characterized. YCrWO 6 crystallizes in polar orthorhombic space group Pna21 (no. 33) of edge-sharing dimers of CrO 6 and WO 6 octahedra, which are connected by corner-sharing to form a three-dimensional framework structure with Y 3+ cations located in the channels. The structure of YCrWO 6 is related to that of CaTa2O 6; however, the ordering of Cr 3+ and W 6+ in the octahedral sites breaks the inversion symmetry of the parent CaTa 2O 6 structure. X-ray absorption near edge spectroscopy of YCrWO 6 confirmed the oxidation state of Cr 3+ and W 6+. Temperature-dependent optical second harmonic generation measurements on YCrWO 6 confirmed the noncentrosymmetric character and evidenced a noncentrosymmetric-to-centrosymmetric phase transition above 800 °C. Piezoresponse force microscopy measurements on YCrWO 6 at room temperature show strong piezoelectric domains. Magnetic measurements of YCrWO 6 indicate antiferromagnetic order at T N of ~22 K with Weiss temperature of -34.66 K.
ORCiD logo [1] ;  [1] ;  [2] ;  [3] ; ORCiD logo [4] ;  [5] ; ORCiD logo [6] ;  [7] ;  [2] ;  [8] ; ORCiD logo [4] ; ORCiD logo [1]
  1. Rutgers Univ., Piscataway, NJ (United States). Dept. of Chemistry and Chemical Biology
  2. Chinese Academy of Sciences (CAS), Beijing (China). Inst. of Physics. Beijing National Lab. for Condensed Matter Physics (BNLCP-CAS)
  3. Pennsylvania State Univ., University Park, PA (United States). Dept. of Chemistry
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS), Inst. for Functional Imaging Materials
  5. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
  6. Illinois Inst. of Technology, Chicago, IL (United States). Center for Synchrotron Radiation Research and Instrumentation, Dept. of Physics
  7. Rutgers Univ., Piscataway, NJ (United States). Dept. of Physics and Astronomy
  8. Pennsylvania State Univ., University Park, PA (United States). Dept. of Material Sciences and Engineering
Publication Date:
Grant/Contract Number:
AC05-00OR22725; AC02-06CH11357; DMR-1420620; DMR-1507252; SC0012704
Accepted Manuscript
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Volume: 30; Journal Issue: 3; Journal ID: ISSN 0897-4756
American Chemical Society (ACS)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF)
Contributing Orgs:
Columbia Univ., New York, NY (United States)
Country of Publication:
United States
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1461302