U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V(SbO3)4 by Materials Project
Abstract
V(SbO3)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. V4+ is bonded to six O2- atoms to form distorted VO6 octahedra that share corners with three SbO6 octahedra, edges with three SbO6 octahedra, and a faceface with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 52–62°. There are a spread of V–O bond distances ranging from 1.82–2.08 Å. There are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and an edgeedge with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 34–49°. There are a spread of Sb–O bond distances ranging from 1.93–2.23 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 38–52°. There are a spread of Sb–O bond distances ranging from 1.93–2.11 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form distorted SbO6 octahedra that share a cornercorner with one VO6 octahedra, corners with six SbO6 octahedra, andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-770857
- 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(SbO3)4; O-Sb-V
- OSTI Identifier:
- 1300135
- DOI:
- https://doi.org/10.17188/1300135
Citation Formats
The Materials Project. Materials Data on V(SbO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1300135.
The Materials Project. Materials Data on V(SbO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1300135
The Materials Project. 2020.
"Materials Data on V(SbO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1300135. https://www.osti.gov/servlets/purl/1300135. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1300135,
title = {Materials Data on V(SbO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {V(SbO3)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. V4+ is bonded to six O2- atoms to form distorted VO6 octahedra that share corners with three SbO6 octahedra, edges with three SbO6 octahedra, and a faceface with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 52–62°. There are a spread of V–O bond distances ranging from 1.82–2.08 Å. There are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and an edgeedge with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 34–49°. There are a spread of Sb–O bond distances ranging from 1.93–2.23 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 38–52°. There are a spread of Sb–O bond distances ranging from 1.93–2.11 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form distorted SbO6 octahedra that share a cornercorner with one VO6 octahedra, corners with six SbO6 octahedra, and a faceface with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 34–52°. There are a spread of Sb–O bond distances ranging from 1.93–2.20 Å. In the fourth Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent VO6 octahedra and corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–62°. There are a spread of Sb–O bond distances ranging from 1.94–2.16 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one V4+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V4+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one V4+ and two Sb5+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one V4+ and two Sb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted T-shaped geometry to one V4+ and two Sb5+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In the eleventh O2- site, O2- is bonded in a T-shaped geometry to one V4+ and two Sb5+ atoms. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb5+ atoms.},
doi = {10.17188/1300135},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}