Materials Data on Nd2PbSe4 by Materials Project
Nd2PbSe4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Nd3+ is bonded to eight equivalent Se2- atoms to form distorted NdSe8 hexagonal bipyramids that share corners with four equivalent NdSe8 hexagonal bipyramids, corners with four equivalent PbSe8 hexagonal bipyramids, edges with four equivalent NdSe8 hexagonal bipyramids, faces with four equivalent NdSe8 hexagonal bipyramids, and faces with four equivalent PbSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 3.00–3.23 Å. Pb2+ is bonded to eight equivalent Se2- atoms to form distorted PbSe8 hexagonal bipyramids that share corners with eight equivalent NdSe8 hexagonal bipyramids, edges with four equivalent PbSe8 hexagonal bipyramids, and faces with eight equivalent NdSe8 hexagonal bipyramids. There are four shorter (3.09 Å) and four longer (3.26 Å) Pb–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two equivalent Pb2+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1282583
- Report Number(s):
- mp-675100
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Nd2EuSe4 by Materials Project
Materials Data on Sr(NdSe2)2 by Materials Project
Materials Data on Sm2PbSe4 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1207177
Materials Data on Sr(NdSe2)2 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1207604
Materials Data on Sm2PbSe4 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1282526