Materials Data on Na2SrV4O12 by Materials Project
Abstract
Na2SrV4O12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with eight equivalent VO4 tetrahedra. There are four shorter (2.45 Å) and two longer (2.68 Å) Na–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.60 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent NaO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–70°. There is two shorter (1.68 Å) and two longer (1.83 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, and one V5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two equivalent V5+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-18975
- 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; Na2SrV4O12; Na-O-Sr-V
- OSTI Identifier:
- 1193756
- DOI:
- https://doi.org/10.17188/1193756
Citation Formats
The Materials Project. Materials Data on Na2SrV4O12 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1193756.
The Materials Project. Materials Data on Na2SrV4O12 by Materials Project. United States. doi:https://doi.org/10.17188/1193756
The Materials Project. 2017.
"Materials Data on Na2SrV4O12 by Materials Project". United States. doi:https://doi.org/10.17188/1193756. https://www.osti.gov/servlets/purl/1193756. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1193756,
title = {Materials Data on Na2SrV4O12 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2SrV4O12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with eight equivalent VO4 tetrahedra. There are four shorter (2.45 Å) and two longer (2.68 Å) Na–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.60 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent NaO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–70°. There is two shorter (1.68 Å) and two longer (1.83 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, and one V5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two equivalent V5+ atoms.},
doi = {10.17188/1193756},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed May 10 00:00:00 EDT 2017},
month = {Wed May 10 00:00:00 EDT 2017}
}