Materials Data on Mo6PbBr14 by Materials Project
Mo6PbBr14 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Mo2+ is bonded to five Br1- atoms to form MoBr5 square pyramids that share a cornercorner with one PbBr6 octahedra and edges with four equivalent MoBr5 square pyramids. The corner-sharing octahedral tilt angles are 52°. There are a spread of Mo–Br bond distances ranging from 2.61–2.66 Å. Pb2+ is bonded to six equivalent Br1- atoms to form PbBr6 octahedra that share corners with six equivalent MoBr5 square pyramids. All Pb–Br bond lengths are 3.10 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to three equivalent Mo2+ atoms. In the second Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent Mo2+ atoms. In the third Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to one Mo2+ 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:
- 1280884
- Report Number(s):
- mp-649327
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on KMo3Br7 by Materials Project
Materials Data on TlMo3Br7 by Materials Project
Materials Data on AgMo6Br13 by Materials Project
Dataset
·
Sat Mar 08 23:00:00 EST 2014
·
OSTI ID:1263292
Materials Data on TlMo3Br7 by Materials Project
Dataset
·
Fri Jan 11 23:00:00 EST 2019
·
OSTI ID:1716874
Materials Data on AgMo6Br13 by Materials Project
Dataset
·
Thu Apr 30 00:00:00 EDT 2020
·
OSTI ID:1283652