“…Single-crystal X-ray diffraction (SCXRD) data were obtained for single crystals at x = 0.14, 0.19, and 0.23 (Figure 1a−d), each yielding a hexagonal structure with the centrosymmetric space group P63/mmc. The out-of-plane lattice constant c was found to be 12.6011 (9), 12.6174(8), and 12.6498(8) Å for x = 0.14, 0.19, and 0.23, respectively, which are all slightly larger than that for 2H-NbSe 2 (c 0 = 12.547(3) Å), suggesting a very minor expansion upon Fe intercalation. 17 The in-plane lattice constant a, b for the x = 0.23 crystal was found to be 6.9151(4) Å, which is close to twice that of native 2H-NbSe 2 (a 0 = 3.4425(5) Å), and, similarly, the a, b lattice constant for the x = 0.19 sample was determined to be 6.9046(3) Å.…”