Materials Data on Ag2PbI4 by Materials Project
Ag2PbI4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to six I1- atoms to form AgI6 octahedra that share corners with six equivalent AgI6 octahedra, edges with four equivalent AgI6 octahedra, and edges with four equivalent PbI6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are two shorter (3.14 Å) and four longer (3.19 Å) Ag–I bond lengths. Pb2+ is bonded to six I1- atoms to form PbI6 octahedra that share corners with four equivalent PbI6 octahedra and edges with eight equivalent AgI6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.19 Å) and two longer (3.21 Å) Pb–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a square co-planar geometry to two equivalent Ag1+ and two equivalent Pb2+ atoms. In the second I1- site, I1- is bonded to four equivalent Ag1+ and one Pb2+ atom to form a mixture of corner and edge-sharing IAg4Pb square pyramids.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1745669
- Report Number(s):
- mp-1229102
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Cu3Ag2Bi7Pb3S16 by Materials Project
Materials Data on Cu6AgBi12PbS22 by Materials Project