U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2V3HO9 by Materials Project
Abstract
Sr2V3HO9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–3.20 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.97 Å. There are three inequivalent V+4.33+ sites. In the first V+4.33+ site, V+4.33+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four VO4 tetrahedra and edges with two equivalent VO6 octahedra. There are a spread of V–O bond distances ranging from 2.01–2.09 Å. In the second V+4.33+ site, V+4.33+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There is two shorter (1.70 Å) and two longer (1.79 Å) V–O bond length. In the third V+4.33+ site, V+4.33+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of V–O bond distances ranging from 1.71–1.82 Å. H1+ is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192478
- 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; Sr2V3HO9; H-O-Sr-V
- OSTI Identifier:
- 1674731
- DOI:
- https://doi.org/10.17188/1674731
Citation Formats
The Materials Project. Materials Data on Sr2V3HO9 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1674731.
The Materials Project. Materials Data on Sr2V3HO9 by Materials Project. United States. doi:https://doi.org/10.17188/1674731
The Materials Project. 2019.
"Materials Data on Sr2V3HO9 by Materials Project". United States. doi:https://doi.org/10.17188/1674731. https://www.osti.gov/servlets/purl/1674731. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1674731,
title = {Materials Data on Sr2V3HO9 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2V3HO9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–3.20 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.97 Å. There are three inequivalent V+4.33+ sites. In the first V+4.33+ site, V+4.33+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four VO4 tetrahedra and edges with two equivalent VO6 octahedra. There are a spread of V–O bond distances ranging from 2.01–2.09 Å. In the second V+4.33+ site, V+4.33+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There is two shorter (1.70 Å) and two longer (1.79 Å) V–O bond length. In the third V+4.33+ site, V+4.33+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of V–O bond distances ranging from 1.71–1.82 Å. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two V+4.33+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+ and one V+4.33+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and three V+4.33+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one V+4.33+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, two equivalent V+4.33+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Sr2+ and one V+4.33+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one V+4.33+, and one H1+ atom.},
doi = {10.17188/1674731},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}