Neutron and X-ray powder diffraction data to determine the structural properties of novel layered perovskite PrSrMn2O5+δ

Shammya Afroze,Nico Torino,Paul F Henry,Md Sumon Reza,Quentin Cheok,Abul K Azad

doi:10.1016/j.dib.2020.105173

Shammya Afroze, Nico Torino + Show 4 more

Open Access

https://doi.org/10.1016/j.dib.2020.105173

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Abstract

The data presented in this article are related to the formation of a novel layered perovskite oxide material, PrSrMn2O5+δ, through a solid-state synthesis route. Here, we present the high-resolution neutron powder diffraction and the X-ray powder diffraction data at room temperature. The new perovskite material crystallizes in the orthorhombic symmetry. Interpretation of this data can be found in a research article titled “Insight of novel layered perovskite PrSrMn2O5+δ: A neutron powder diffraction study” (Shammya et al., 2019) [1].

Highlights

Neutron and X-ray powder diffraction data to determine the structural properties of novel layered perovskite PrSrMn2O5þd
The data presented in this article are related to the formation of a novel layered perovskite oxide material, PrSrMn2O5þd, through a solid-state synthesis route
Interpretation of this data can be found in a research article titled “Insight of novel layered perovskite PrSrMn2O5þd: A neutron powder diffraction study”

Summary

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Material science Layered perovskite-type oxide - ceramic Material Figure, raw data and analyzed data, table Neutron powder diffraction data were obtained on a Polaris instrument, the X-ray diffraction (XRD) data were collected on a Bruker AXS D8 Advance diffractometer. Value of the data The data provides detailed information on how to investigate crystal symmetry, space group, lattice parameter, atomic positions of a layered-type perovskite oxide material. To understand the structure of the sample behavior, neutron powder diffraction was carried out on PrSrMn2O5þd sample at room temperature. The neutron diffraction pattern is perfectly fitted with the orthorhombic layered perovskite structure in the Pmmm space-group yielding, a 1⁄4 3.8907 (1) Å, b 1⁄4 3.8227 (1) Å, and c 1⁄4 7.6846 (2) Å, with dimensions ap Â ap Â 2ap. What are presented in the article are the detailed neutron powder diffraction data and atomic coordinates (Table 1)

Materials and methods

Neutron powder diffraction

X-ray diffraction