Materials Data on ZrSO by Materials Project
ZrOS crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Zr4+ is bonded in a 3-coordinate geometry to four equivalent S2- and three equivalent O2- atoms. There are one shorter (2.60 Å) and three longer (2.76 Å) Zr–S bond lengths. All Zr–O bond lengths are 2.11 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Zr4+ and seven equivalent O2- atoms. There are a spread of S–O bond distances ranging from 2.99–3.25 Å. O2- is bonded in a trigonal planar geometry to three equivalent Zr4+ and seven equivalent S2- 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:
- 1206946
- Report Number(s):
- mp-3519
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on ZrSeO by Materials Project
Materials Data on ZrSO by Materials Project
Materials Data on Zr2SO3 by Materials Project
Dataset
·
Mon Jul 20 00:00:00 EDT 2020
·
OSTI ID:1290489
Materials Data on ZrSO by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1307980
Materials Data on Zr2SO3 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1699024