Materials Data on LaHoO3 by Materials Project
LaHoO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six O2- atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of Ho–O bond distances ranging from 2.23–2.28 Å. In the second Ho3+ site, Ho3+ is bonded to six O2- atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Ho–O bond distances ranging from 2.25–2.27 Å. La3+ is bonded in a 3-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.30–3.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ho3+ and two equivalent La3+ atoms to form distorted corner-sharing OLa2Ho2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent La3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and three equivalent La3+ 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:
- 1299769
- Report Number(s):
- mp-770413
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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