Materials Data on La2Cd2O5 by Materials Project
La2Cd2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.32–2.81 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with four equivalent CdO6 octahedra and corners with two equivalent CdO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Cd–O bond distances ranging from 2.30–2.44 Å. In the second Cd2+ site, Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with two equivalent CdO6 octahedra and corners with two equivalent CdO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Cd–O bond distances ranging from 2.20–2.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+ and two Cd2+ atoms to form distorted corner-sharing OLa2Cd2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Cd2+ atoms to form corner-sharing OLa2Cd2 tetrahedra. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Cd2+ atoms.
- 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:
- 1300125
- Report Number(s):
- mp-770847
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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