Materials Data on Pr2PbS4 by Materials Project
Pr2PbS4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Pr3+ is bonded to eight equivalent S2- atoms to form distorted PrS8 hexagonal bipyramids that share corners with four equivalent PrS8 hexagonal bipyramids, corners with four equivalent PbS8 hexagonal bipyramids, edges with four equivalent PrS8 hexagonal bipyramids, faces with four equivalent PrS8 hexagonal bipyramids, and faces with four equivalent PbS8 hexagonal bipyramids. There are a spread of Pr–S bond distances ranging from 2.89–3.13 Å. Pb2+ is bonded to eight equivalent S2- atoms to form distorted PbS8 hexagonal bipyramids that share corners with eight equivalent PrS8 hexagonal bipyramids, edges with four equivalent PbS8 hexagonal bipyramids, and faces with eight equivalent PrS8 hexagonal bipyramids. There are four shorter (2.99 Å) and four longer (3.16 Å) Pb–S bond lengths. S2- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent Pb2+ atoms.
- 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:
- 1282782
- Report Number(s):
- mp-675638
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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