title: Sodalite-like rare-earth carbonates: a study of structural transformation and diluted magnetism.
abstract: A series of novel rare earth carbonates, RE3(OH)6(CO3)Cl (RE = Dy, Er, Y), with sodalite-like (SOD-like) zeolite topologies have been successfully synthesized by introducing an appropriate amount of CO3(2-) from NaCO3 or atmospheric carbon dioxide as a template. Single-crystal X-ray diffraction reveals that the structure consists of the RE3(OH)6(3+) cationic framework with a SOD-like topology built from vertex-sharing [RE4(μ3-OH)4] cubes. The CO3(2-) anions seal the 6-ring opening and Cl(-) anions situated in the channels to achieve charge balance. After calcination at 370 °C, the compound RE3(OH)6(CO3)Cl in situ transforms into a new phase formulated as RE3O4Cl. Interestingly, the structure of RE3O4Cl represents a new SOD-like open framework, associated with the removal of the CO3(2-) from RE3(OH)6(CO3)Cl. The samples are characterized by thermogravimetric analysis (TGA), elemental analysis, X-ray photoelectron spectroscopy and magnetic studies. Furthermore, single-molecule magnet behaviours can be observed for the diluted samples of Dy0.0068Y2.9932(OH)6(CO3)Cl and Dy0.0068Y2.9932O4Cl with a Dy/Y molar ratio of up to 1/440 as well as Er0.19Y2.81(OH)6(CO3)Cl with an Er/Y ratio of 1/15, showing dominant single-ion effects.
authors.affiliation: Centre for Applied Chemical Research, Frontier Institute of Science and Technology, and MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, College of Science, Xi'an Jiaotong University, Xi'an 710054, China. zheng.yanzhen@xjtu.edu.cn.
authors.forename: Yanyan
authors.initials: Y
authors.lastname: Wang
authors.affiliation: Centre for Applied Chemical Research, Frontier Institute of Science and Technology, and MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, College of Science, Xi'an Jiaotong University, Xi'an 710054, China. zheng.yanzhen@xjtu.edu.cn.
authors.forename: Tian
authors.initials: T
authors.lastname: Han
authors.affiliation: Centre for Applied Chemical Research, Frontier Institute of Science and Technology, and MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, College of Science, Xi'an Jiaotong University, Xi'an 710054, China. zheng.yanzhen@xjtu.edu.cn.
authors.forename: You-Song
authors.initials: YS
authors.lastname: Ding
authors.affiliation: Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721, USA.
authors.forename: Zhiping
authors.initials: Z
authors.lastname: Zheng
authors.affiliation: Centre for Applied Chemical Research, Frontier Institute of Science and Technology, and MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, College of Science, Xi'an Jiaotong University, Xi'an 710054, China. zheng.yanzhen@xjtu.edu.cn.
authors.forename: Yan-Zhen
authors.initials: YZ
authors.lastname: Zheng