Materials Data on La2TiZnO6 by Materials Project
Abstract
La2ZnTiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.83 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 28–30°. There is four shorter (1.98 Å) and two longer (1.99 Å) Ti–O bond length. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 28–30°. There are two shorter (2.13 Å) and four longer (2.14 Å) Zn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ti4+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ti4+, and one Zn2+ atom. In the third O2- site, O2- is bonded to two equivalent La3+, one Ti4+, and one Zn2+ atom to form distorted corner-sharing OLa2TiZn tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-558528
- 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; La2TiZnO6; La-O-Ti-Zn
- OSTI Identifier:
- 1270375
- DOI:
- https://doi.org/10.17188/1270375
Citation Formats
The Materials Project. Materials Data on La2TiZnO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270375.
The Materials Project. Materials Data on La2TiZnO6 by Materials Project. United States. doi:https://doi.org/10.17188/1270375
The Materials Project. 2020.
"Materials Data on La2TiZnO6 by Materials Project". United States. doi:https://doi.org/10.17188/1270375. https://www.osti.gov/servlets/purl/1270375. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1270375,
title = {Materials Data on La2TiZnO6 by Materials Project},
author = {The Materials Project},
abstractNote = {La2ZnTiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.83 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 28–30°. There is four shorter (1.98 Å) and two longer (1.99 Å) Ti–O bond length. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 28–30°. There are two shorter (2.13 Å) and four longer (2.14 Å) Zn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ti4+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ti4+, and one Zn2+ atom. In the third O2- site, O2- is bonded to two equivalent La3+, one Ti4+, and one Zn2+ atom to form distorted corner-sharing OLa2TiZn tetrahedra.},
doi = {10.17188/1270375},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}