U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrTaNO2 by Materials Project
Abstract
SrTaO2N crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent N3- and eight equivalent O2- atoms to form distorted SrN4O8 cuboctahedra that share corners with twelve equivalent SrN4O8 cuboctahedra, faces with six equivalent SrN4O8 cuboctahedra, and faces with eight equivalent TaN2O4 octahedra. All Sr–N bond lengths are 2.84 Å. There are four shorter (2.64 Å) and four longer (3.14 Å) Sr–O bond lengths. Ta5+ is bonded to two equivalent N3- and four equivalent O2- atoms to form TaN2O4 octahedra that share corners with six equivalent TaN2O4 octahedra and faces with eight equivalent SrN4O8 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–20°. Both Ta–N bond lengths are 2.06 Å. All Ta–O bond lengths are 2.04 Å. N3- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ta5+ atoms. O2- is bonded in a 4-coordinate geometry to four equivalent Sr2+ and two equivalent Ta5+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-552454
- 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; SrTaNO2; N-O-Sr-Ta
- OSTI Identifier:
- 1267568
- DOI:
- https://doi.org/10.17188/1267568
Citation Formats
The Materials Project. Materials Data on SrTaNO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267568.
The Materials Project. Materials Data on SrTaNO2 by Materials Project. United States. doi:https://doi.org/10.17188/1267568
The Materials Project. 2020.
"Materials Data on SrTaNO2 by Materials Project". United States. doi:https://doi.org/10.17188/1267568. https://www.osti.gov/servlets/purl/1267568. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267568,
title = {Materials Data on SrTaNO2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrTaO2N crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent N3- and eight equivalent O2- atoms to form distorted SrN4O8 cuboctahedra that share corners with twelve equivalent SrN4O8 cuboctahedra, faces with six equivalent SrN4O8 cuboctahedra, and faces with eight equivalent TaN2O4 octahedra. All Sr–N bond lengths are 2.84 Å. There are four shorter (2.64 Å) and four longer (3.14 Å) Sr–O bond lengths. Ta5+ is bonded to two equivalent N3- and four equivalent O2- atoms to form TaN2O4 octahedra that share corners with six equivalent TaN2O4 octahedra and faces with eight equivalent SrN4O8 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–20°. Both Ta–N bond lengths are 2.06 Å. All Ta–O bond lengths are 2.04 Å. N3- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ta5+ atoms. O2- is bonded in a 4-coordinate geometry to four equivalent Sr2+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1267568},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}