Materials Data on La2S2O by Materials Project
La2S2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to five S2- and three equivalent O2- atoms. There are a spread of La–S bond distances ranging from 3.06–3.22 Å. There are two shorter (2.41 Å) and one longer (2.43 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to five S2- and one O2- atom to form a mixture of distorted corner and edge-sharing LaS5O octahedra. The corner-sharing octahedral tilt angles are 66°. There are a spread of La–S bond distances ranging from 2.88–2.93 Å. The La–O bond length is 2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to five La3+ atoms. O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1289577
- Report Number(s):
- mp-754794
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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