Materials Data on Nb3PbS6 by Materials Project
Nb3PbS6 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nb+3.33+ sites. In the first Nb+3.33+ site, Nb+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.51 Å. In the second Nb+3.33+ site, Nb+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.49 Å. Pb2+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Pb–S bond lengths are 2.94 Å. S2- is bonded in a 4-coordinate geometry to three Nb+3.33+ and one Pb2+ atom.
- 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:
- 1197198
- Report Number(s):
- mp-21852
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Nb3SnS6 by Materials Project
Materials Data on Ta3PbS6 by Materials Project
Materials Data on Nb3SnS6 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1313196
Materials Data on Ta3PbS6 by Materials Project
Dataset
·
Sat Jul 18 00:00:00 EDT 2020
·
OSTI ID:1195974
Materials Data on Nb3SnS6 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1269935