Materials Data on NaV13O18 by Materials Project
Abstract
NaV13O18 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of three sodium molecules and one V13O18 framework. In the V13O18 framework, there are three inequivalent V+2.69+ sites. In the first V+2.69+ site, V+2.69+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 10–16°. There are a spread of V–O bond distances ranging from 2.05–2.24 Å. In the second V+2.69+ site, V+2.69+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are a spread of V–O bond distances ranging from 2.00–2.18 Å. In the third V+2.69+ site, V+2.69+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All V–O bond lengths are 2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four V+2.69+ atoms. In the second O2- site, O2- is bonded to five V+2.69+ atoms to form a mixture of edge and corner-sharing OV5 square pyramids.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1101727
- 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; NaV13O18; Na-O-V
- OSTI Identifier:
- 1682632
- DOI:
- https://doi.org/10.17188/1682632
Citation Formats
The Materials Project. Materials Data on NaV13O18 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1682632.
The Materials Project. Materials Data on NaV13O18 by Materials Project. United States. doi:https://doi.org/10.17188/1682632
The Materials Project. 2020.
"Materials Data on NaV13O18 by Materials Project". United States. doi:https://doi.org/10.17188/1682632. https://www.osti.gov/servlets/purl/1682632. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1682632,
title = {Materials Data on NaV13O18 by Materials Project},
author = {The Materials Project},
abstractNote = {NaV13O18 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of three sodium molecules and one V13O18 framework. In the V13O18 framework, there are three inequivalent V+2.69+ sites. In the first V+2.69+ site, V+2.69+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 10–16°. There are a spread of V–O bond distances ranging from 2.05–2.24 Å. In the second V+2.69+ site, V+2.69+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are a spread of V–O bond distances ranging from 2.00–2.18 Å. In the third V+2.69+ site, V+2.69+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All V–O bond lengths are 2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four V+2.69+ atoms. In the second O2- site, O2- is bonded to five V+2.69+ atoms to form a mixture of edge and corner-sharing OV5 square pyramids. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to four V+2.69+ atoms.},
doi = {10.17188/1682632},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}