DOE OSTI2020
Na3Ag is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four equivalent Na and four equivalent Ag atoms. All Na–Na bond lengths are 3.31 Å. All Na–Ag bond lengths are 3.31 Å. In the second Na site, Na is bonded to eight equivalent Na and four equivalent Ag atoms to form NaNa8Ag4 cuboctahedra that share corners with four equivalent NaNa8Ag4 cuboctahedra, corners with eight equivalent AgNa12 cuboctahedra, edges with eight equivalent NaNa8Ag4 cuboctahedra, faces with four equivalent NaNa8Ag4 cuboctahedra, and faces with six equivalent AgNa12 cuboctahedra. All Na–Ag bond lengths are 3.53 Å. Ag is bonded to twelve Na atoms to form AgNa12 cuboctahedra that share corners with four equivalent AgNa12 cuboctahedra, corners with eight equivalent NaNa8Ag4 cuboctahedra, edges with eight equivalent AgNa12 cuboctahedra, faces with four equivalent AgNa12 cuboctahedra, and faces with six equivalent NaNa8Ag4 cuboctahedra.