Table 1. Summary of the Structural Features of the Binary, Ternary, and Quaternary Compounds from the CuI–AgI–BiI3 Phase Spacea.
| system | close stoichiometric composition | unit cell (Figure 3) | space group | octahedral motif (Figure 2) | tetrahedral sites (Figure 4) | iodide sublattice | structure type | refs |
|---|---|---|---|---|---|---|---|---|
| binary | BiI3 | trigonal | R3 | BiI3-type (2D) | none | HCP | BiI3 | (17) |
| CuI | cubic | F43m | none | zinc blende (3D) | CCP | zinc blende | (15) | |
| AgI | hexagonal | P63mc | none | wurtzite (3D) | HCP | wurtzite | (16) | |
| ternary | Ag1–3xBi1+xI4x < 0 (Ag-rich) | small trigonal | R3m | NaVO2 (3D) | none | CCP | NaVO2 | (1, 18−21, 27) |
| Ag1–3xBi1+xI4x ≥ 0 (Bi-rich) | cubic | Fd3m | spinel (3D) | none | CCP | defect spinel | (1, 18−21) | |
| Ag1–3xBi1+xI4x ≥ 0 (Bi-rich) | small trigonal | R3m | CdCl2 (2D) | none | CCP | CdCl2 | (1) | |
| CuBiI4 | small trigonal | R3m | CdCl2 (2D) | antifluorite (3D, layered ordering) | CCP | CuBiI4 (CdCl2) | this work | |
| CuBiI4 | cubic | Fd3m | spinel (3D) | antifluorite (3D) | CCP | CuBiI4 (spinel) | (22) | |
| quaternary | CuAgBiI5 | large trigonal | R3m | spinel (3D) | CuAgBiI5 (2D) | CCP | CuAgBiI5 | this work |
| Cu2AgBiI6 | small trigonal | R3m | CdCl2 (2D) | antifluorite (3D, layered ordering) | CCP | Cu2AgBiI6 | (2) |
a
The nomenclature referred to is described in the main text and corresponding figures. Previously reported Cu2BiI5 has been omitted from the table, as its structure has not been solved.