Materials Data on VPS3 by Materials Project
PVS3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one PVS3 sheet oriented in the (0, 0, 1) direction. V3+ is bonded to six S2- atoms to form edge-sharing VS6 octahedra. There are a spread of V–S bond distances ranging from 2.49–2.51 Å. P3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.07 Å) and two longer (2.08 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent V3+ and one P3+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent V3+ and one P3+ 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:
- 1742583
- Report Number(s):
- mp-1078971
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on VAg(PS3)2 by Materials Project
Materials Data on FePS3 by Materials Project
Materials Data on CoPS3 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1280613
Materials Data on FePS3 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1268358
Materials Data on CoPS3 by Materials Project
Dataset
·
Fri Jul 17 00:00:00 EDT 2020
·
OSTI ID:1283052