Materials Data on V(SeO3)2 by Materials Project
Abstract
V(SeO3)2 crystallizes in the tetragonal P4cc space group. The structure is three-dimensional. there are three inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.30 Å. In the second V4+ site, V4+ is bonded to six O2- atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.69–2.27 Å. In the third V4+ site, V4+ is bonded to six O2- atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.69–2.28 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.88 Å. In the second Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.83 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-622170
- 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; V(SeO3)2; O-Se-V
- OSTI Identifier:
- 1278100
- DOI:
- https://doi.org/10.17188/1278100
Citation Formats
The Materials Project. Materials Data on V(SeO3)2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1278100.
The Materials Project. Materials Data on V(SeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1278100
The Materials Project. 2017.
"Materials Data on V(SeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1278100. https://www.osti.gov/servlets/purl/1278100. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1278100,
title = {Materials Data on V(SeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {V(SeO3)2 crystallizes in the tetragonal P4cc space group. The structure is three-dimensional. there are three inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.30 Å. In the second V4+ site, V4+ is bonded to six O2- atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.69–2.27 Å. In the third V4+ site, V4+ is bonded to six O2- atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.69–2.28 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.88 Å. In the second Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.83 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Se4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent V4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to two equivalent V4+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one Se4+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to two equivalent V4+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one Se4+ atom.},
doi = {10.17188/1278100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}