Materials Data on La2SeO2 by Materials Project
La2SeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.15 Å. There are one shorter (2.41 Å) and three longer (2.45 Å) La–O bond lengths. Se2- is bonded to six equivalent La3+ atoms to form distorted SeLa6 octahedra that share corners with twelve equivalent OLa4 tetrahedra, edges with six equivalent SeLa6 octahedra, and edges with six equivalent OLa4 tetrahedra. O2- is bonded to four equivalent La3+ atoms to form OLa4 tetrahedra that share corners with six equivalent SeLa6 octahedra, corners with six equivalent OLa4 tetrahedra, edges with three equivalent SeLa6 octahedra, and edges with three equivalent OLa4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–49°.
- 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:
- 1287599
- Report Number(s):
- mp-7233
- Country of Publication:
- United States
- Language:
- English
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