Abstract

Neutron diffraction is one of the best methods for structural analysis of a complex, layered perovskite material with low symmetry by accurately detecting the oxygen positions through octahedral tilting. In this research, the crystal structure of NdSrMn2O5+δ was identified through X-ray diffraction (XRD) and neutron powder diffraction (NPD) at room temperature (RT), which indicated the formation of a layered structure in orthorhombic symmetry in the Pmmm (no. 47) space group. Rietveld refinement of the neutron diffraction data has confirmed the orthorhombic symmetry with unit cell parameters (a = 3.8367 (1) Å, b = 3.8643 (2) Å, and c = 7.7126 (1) Å), atomic positions, and oxygen occupancy. Thermogravimetric analysis revealed the total weight loss of about 0.10% for 20–950°C temperature, which occurred mainly to create oxygen vacancies at high temperatures. Rietveld analyses concurred with the XRD and neutron data allowing correlation of occupancy factors of the oxygen sites.

Highlights

  • Shammya Afroze,1,2 Duygu Yilmaz,2 Md Sumon Reza,1 Paul F

  • The crystal structure of NdSrMn2O5+δ was identified through X-ray diffraction (XRD) and neutron powder diffraction (NPD) at room temperature (RT), which indicated the formation of a layered structure in orthorhombic symmetry in the Pmmm space group

  • We report the complete structural data of these materials and describe the thermal properties from thermogravimetric analysis

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Summary

Research Article

Neutron diffraction is one of the best methods for structural analysis of a complex, layered perovskite material with low symmetry by accurately detecting the oxygen positions through octahedral tilting. The crystal structure of NdSrMn2O5+δ was identified through X-ray diffraction (XRD) and neutron powder diffraction (NPD) at room temperature (RT), which indicated the formation of a layered structure in orthorhombic symmetry in the Pmmm E synthesis of a novel material was elaborately discussed, and the results of high-resolution neutron powder diffraction (NPD) studies were observed on the crystallized sample in this work. X-ray powder diffraction (XRD) and neutron powder diffraction (NPD) were used to analyze the crystal structure of NdSrMn2O5+δ material. Is material is debuted under the Pmmm space group through the Rietveld analysis of the high-resolution NPD data; a layered perovskite structure was formed. N2 flow was substituted for airflow, and the mass change were recorded until equilibrium was reached

Results and Discussion
Structure model
Wyckoff positions
Weight Heat flow
Calculated oxygen occupancy from TGA
Conclusions

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