U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrV2(AsO5)2 by Materials Project
Abstract
SrV2(AsO5)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.96 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of V–O bond distances ranging from 1.70–2.11 Å. In the second V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of V–O bond distances ranging from 1.71–2.07 Å. There are two inequivalent As4+ sites. In the first As4+ site, As4+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 40–61°. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. In the second As4+ site, As4+ is bonded to four O2- atomsmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-19513
- 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; SrV2(AsO5)2; As-O-Sr-V
- OSTI Identifier:
- 1194660
- DOI:
- https://doi.org/10.17188/1194660
Citation Formats
The Materials Project. Materials Data on SrV2(AsO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194660.
The Materials Project. Materials Data on SrV2(AsO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1194660
The Materials Project. 2020.
"Materials Data on SrV2(AsO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1194660. https://www.osti.gov/servlets/purl/1194660. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1194660,
title = {Materials Data on SrV2(AsO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrV2(AsO5)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.96 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of V–O bond distances ranging from 1.70–2.11 Å. In the second V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of V–O bond distances ranging from 1.71–2.07 Å. There are two inequivalent As4+ sites. In the first As4+ site, As4+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 40–61°. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. In the second As4+ site, As4+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one V5+, and one As4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one As4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one V5+, and one As4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one V5+, and one As4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one V5+, and one As4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one V5+, and one As4+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one V5+, and one As4+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one V5+, and one As4+ atom.},
doi = {10.17188/1194660},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}