Figure 2: Incorporation of H− and OH− anions into mayenites observed by X-ray diffraction. | Nature Communications

Figure 2: Incorporation of H− and OH− anions into mayenites observed by X-ray diffraction.

From: Hydride ions in oxide hosts hidden by hydroxide ions

Figure 2

Upper row shows maximum entropy method electron density maps in the {400} planes for C12A7:e− (a), C12A7:H− (b), C12A7:OH− (c), S12A7:OH− (d) and S12A7:OH− (e) samples. Distances (pm) between the two pole Ca2+ ions on the S4 axes, as determined by Rietveld analysis, are indicated on the maps. The lower row shows the geometrical structures of the cages (Ca2+: yellow; Sr2+: orange; Al3+: red; O2−: cyan; H−: green; OH−: blue) and the corresponding Ca–Ca and Sr–Sr distances. Structures of the occupied and vacant cages are shown separately for C12A7:H− (g: occupied; h: vacant) and C12A7:OH− (i: occupied; j: vacant), S12A7:OH− (k: occupied; l: vacant) and S12A7:OH− (m: occupied; n: vacant) systems.

Back to article page