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. 2019 May 8;9:7108. doi: 10.1038/s41598-019-43601-z

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© The Author(s) 2019

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Typical experimental profiles and fitting results of Rietveld refinement for fcc FeH_x. The black + signs represent the neutron diffraction profile obtained experimentally. The red solid line represents refined profiles calculated from Rietveld refinement for fcc FeH_x (and bcc Fe) with NaCl capsule. The green dashed line represents the background of neutron diffraction profile obtained experimentally. The blue dotted line represents the differences between experimental and refined profiles by an offset of −10 in the vertical axis for clarity. Colored symbols indicate the characteristic peaks of each observed phase (red squares: fcc FeH_x, blue diamonds: bcc Fe, black asterisks: NaCl). The inset figure shows the crystal structure of fcc FeH_x (the crystal symmetry is cubic (Fm-3m, Z = 4)) and the atomic sites of Fe are 4a (0, 0, 0), O-sites of fcc FeH_x are 4b (1/2, 1/2, 1/2), and T-sites of fcc FeH_x are 8c (1/4, 1/4, 1/4). Gray balls represent the Fe atom, light blue balls represent an O-site, and light red balls represent a T-site. The experimental conditions and fitting parameters of Rietveld refinement are given in the figures.