TY - JOUR
T1 - Neutron diffraction study of the oxychloride layered perovskite, (CuCl)LaNb2O7
AU - Caruntu, Gabriel
AU - Kodenkandath, Thomas A.
AU - Wiley, John B.
N1 - Funding Information:
This work has benefited from the use of the Intense Pulsed Neutron Source at Argonne National Laboratory, which is funded by the US Department of Energy, BES-Materials Science, under Contract W-31-109-ENG-38. The authors are particularly grateful to S. Short at ANL for performing the neutron data collection. Additionally, the authors gratefully acknowledge the support provided by the National Science Foundation (DMR-9983591) and the Department of Defense (DOD) (DARPA MDA972-97-1-0003).
PY - 2002/3/1
Y1 - 2002/3/1
N2 - The structure of the oxychloride layered perovskite, (CuCl)LaNb2O7, has been examined by neutron diffraction. Rietveld refinement of room temperature neutron TOF data, while consistent with the previous X-ray study, allows for an improved modeling of the structure. The structure consists of double perovskite layers (LaNb2O7) separated by copper chloride layers. The copper is octahedrally coordinated, bridging between apical oxygens from the perovskite layer and surrounded by four chlorines in the Cu-Cl plane; this gives rise to edge-sharing CuO2Cl4 octahedra. The chlorines within the Cu-Cl plane were found to move off the ideal (0, 0, 1/2) position to a more general position, (x, 0, 1/2). This disorder leads to a combination of four short and two long distances, common to the Jahn-Teller distorted environments for d9 copper. Structural details are discussed with respect to their influence on the chlorine disorder.
AB - The structure of the oxychloride layered perovskite, (CuCl)LaNb2O7, has been examined by neutron diffraction. Rietveld refinement of room temperature neutron TOF data, while consistent with the previous X-ray study, allows for an improved modeling of the structure. The structure consists of double perovskite layers (LaNb2O7) separated by copper chloride layers. The copper is octahedrally coordinated, bridging between apical oxygens from the perovskite layer and surrounded by four chlorines in the Cu-Cl plane; this gives rise to edge-sharing CuO2Cl4 octahedra. The chlorines within the Cu-Cl plane were found to move off the ideal (0, 0, 1/2) position to a more general position, (x, 0, 1/2). This disorder leads to a combination of four short and two long distances, common to the Jahn-Teller distorted environments for d9 copper. Structural details are discussed with respect to their influence on the chlorine disorder.
KW - A. Layered compounds
KW - A. Oxides
KW - C. Neutron scattering
UR - http://www.scopus.com/inward/record.url?scp=0036494981&partnerID=8YFLogxK
U2 - 10.1016/S0025-5408(02)00681-5
DO - 10.1016/S0025-5408(02)00681-5
M3 - Article
AN - SCOPUS:0036494981
VL - 37
SP - 593
EP - 598
JO - Materials Research Bulletin
JF - Materials Research Bulletin
SN - 0025-5408
IS - 3
ER -