Materials Data on MnV2(PO4)3 by Materials Project
Abstract
V2Mn(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. V+3.50+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.93 Å) and three longer (2.04 Å) V–O bond length. Mn2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Mn–O bond lengths are 2.26 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 26–45°. There is two shorter (1.53 Å) and two longer (1.56 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V+3.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V+3.50+, one Mn2+, and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-775212
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- 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)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; MnV2(PO4)3; Mn-O-P-V
- OSTI Identifier:
- 1302863
- DOI:
- https://doi.org/10.17188/1302863
Citation Formats
The Materials Project. Materials Data on MnV2(PO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1302863.
The Materials Project. Materials Data on MnV2(PO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1302863
The Materials Project. 2020.
"Materials Data on MnV2(PO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1302863. https://www.osti.gov/servlets/purl/1302863. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1302863,
title = {Materials Data on MnV2(PO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {V2Mn(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. V+3.50+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.93 Å) and three longer (2.04 Å) V–O bond length. Mn2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Mn–O bond lengths are 2.26 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 26–45°. There is two shorter (1.53 Å) and two longer (1.56 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V+3.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V+3.50+, one Mn2+, and one P5+ atom.},
doi = {10.17188/1302863},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}