Materials Data on LaAlO3 by Materials Project

doi:10.17188/1263229

Title: Materials Data on LaAlO3 by Materials Project

Dataset
Other Related Research

Abstract

LaAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All La–O bond lengths are 2.69 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.91 Å. O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Al3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-5304

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; LaAlO3; Al-La-O

OSTI Identifier:: 1263229

DOI:: https://doi.org/10.17188/1263229

Citation Formats


                    The Materials Project. Materials Data on LaAlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263229.

Copy to clipboard


                    The Materials Project. Materials Data on LaAlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263229

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on LaAlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263229.  https://www.osti.gov/servlets/purl/1263229. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1263229,

  title        = {Materials Data on LaAlO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All La–O bond lengths are 2.69 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.91 Å. O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Al3+ atoms.},

  doi          = {10.17188/1263229},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1263229

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on LaAlO3 by Materials Project

Dataset The Materials Project

LaAlO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form distorted LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. There are a spread of La–O bond distances ranging from 2.49–2.92 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. All Al–O bond lengths are 1.92 Å. O2-more »« less
Materials Data on LaAlO3 by Materials Project

Dataset The Materials Project

LaAlO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.68 Å. In the second La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.65 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra.more »« less
Materials Data on LaAlO3 by Materials Project

Dataset The Materials Project

LaAlO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 pentagonal bipyramids that share corners with four AlO4 tetrahedra, edges with two equivalent LaO6 octahedra, edges with two equivalent LaO7 pentagonal bipyramids, and edges with two AlO4 tetrahedra. There are a spread of La–O bond distances ranging from 2.38–2.62 Å. In the second La3+ site, La3+ is bonded to six O2- atoms to form distorted LaO6 octahedra that share corners with five AlO4 tetrahedra, edges withmore »« less
Materials Data on LaAlO3 by Materials Project

Dataset The Materials Project

LaAlO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three 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 2.47–2.72 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.69 Å. In the third La3+ site, La3+ is bonded to six O2- atoms to form distorted LaO6 octahedra that share corners with six AlO4 tetrahedra and anmore »« less
Materials Data on LaAlO3 by Materials Project

Dataset The Materials Project

LaAlO3 crystallizes in the monoclinic P2_1/c 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 2.42–3.06 Å. In the second 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 2.34–3.10 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are amore »« less

Similar Records