Materials Data on RbLa9(IrO6)4 by Materials Project
Abstract
RbLa9(IrO6)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Rb–O bond lengths are 2.69 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.89 Å. In the second La3+ site, La3+ is bonded to six O2- atoms to form LaO6 octahedra that share corners with six IrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. There are two shorter (2.28 Å) and four longer (2.47 Å) La–O bond lengths. There are two inequivalent Ir5+ sites. In the first Ir5+ site, Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with two equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There is two shorter (1.95 Å) and four longer (2.04 Å) Ir–O bond length. In the second Ir5+ site, Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share a cornercorner with one LaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ir–O bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-560657
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; RbLa9(IrO6)4; Ir-La-O-Rb
- OSTI Identifier:
- 1271599
- DOI:
- https://doi.org/10.17188/1271599
Citation Formats
The Materials Project. Materials Data on RbLa9(IrO6)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271599.
The Materials Project. Materials Data on RbLa9(IrO6)4 by Materials Project. United States. doi:https://doi.org/10.17188/1271599
The Materials Project. 2020.
"Materials Data on RbLa9(IrO6)4 by Materials Project". United States. doi:https://doi.org/10.17188/1271599. https://www.osti.gov/servlets/purl/1271599. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1271599,
title = {Materials Data on RbLa9(IrO6)4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbLa9(IrO6)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Rb–O bond lengths are 2.69 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.89 Å. In the second La3+ site, La3+ is bonded to six O2- atoms to form LaO6 octahedra that share corners with six IrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. There are two shorter (2.28 Å) and four longer (2.47 Å) La–O bond lengths. There are two inequivalent Ir5+ sites. In the first Ir5+ site, Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with two equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There is two shorter (1.95 Å) and four longer (2.04 Å) Ir–O bond length. In the second Ir5+ site, Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share a cornercorner with one LaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ir–O bond distances ranging from 1.95–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ir5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to five La3+ and one Ir5+ atom. In the third O2- site, O2- is bonded to one Rb1+, four equivalent La3+, and one Ir5+ atom to form distorted corner-sharing ORbLa4Ir octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent La3+ and one Ir5+ atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Ir5+ atom.},
doi = {10.17188/1271599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}