Materials Data on LaTaTiO6 by Materials Project
Abstract
LaTaTiO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.85 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.85 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share edges with three equivalent TaO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.90–2.03 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share edges with three equivalent TiO6 octahedra. There are a spread of Ta–O bond distances ranging from 1.94–2.05 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two La3+, onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1222764
- 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; LaTaTiO6; La-O-Ta-Ti
- OSTI Identifier:
- 1746986
- DOI:
- https://doi.org/10.17188/1746986
Citation Formats
The Materials Project. Materials Data on LaTaTiO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746986.
The Materials Project. Materials Data on LaTaTiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1746986
The Materials Project. 2020.
"Materials Data on LaTaTiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1746986. https://www.osti.gov/servlets/purl/1746986. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746986,
title = {Materials Data on LaTaTiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LaTaTiO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.85 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.85 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share edges with three equivalent TaO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.90–2.03 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share edges with three equivalent TiO6 octahedra. There are a spread of Ta–O bond distances ranging from 1.94–2.05 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two La3+, one Ti4+, and one Ta5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+, one Ti4+, and one Ta5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom.},
doi = {10.17188/1746986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}