U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnV2P2(H4O7)2 by Materials Project
Abstract
V2MnP2(H2O5)2(H2O2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four water molecules and one V2MnP2(H2O5)2 ribbon oriented in the (1, 1, 0) direction. In the V2MnP2(H2O5)2 ribbon, V4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.92 Å. Mn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.14 Å) and two longer (2.40 Å) Mn–O bond lengths. P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.60–1.63 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom. In the second O2- site, O2- is bonded in a water-like geometry to onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-698721
- 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; MnV2P2(H4O7)2; H-Mn-O-P-V
- OSTI Identifier:
- 1285439
- DOI:
- https://doi.org/10.17188/1285439
Citation Formats
The Materials Project. Materials Data on MnV2P2(H4O7)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285439.
The Materials Project. Materials Data on MnV2P2(H4O7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1285439
The Materials Project. 2020.
"Materials Data on MnV2P2(H4O7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1285439. https://www.osti.gov/servlets/purl/1285439. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1285439,
title = {Materials Data on MnV2P2(H4O7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {V2MnP2(H2O5)2(H2O2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four water molecules and one V2MnP2(H2O5)2 ribbon oriented in the (1, 1, 0) direction. In the V2MnP2(H2O5)2 ribbon, V4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.92 Å. Mn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.14 Å) and two longer (2.40 Å) Mn–O bond lengths. P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.60–1.63 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one P5+ and one H1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one V4+, one Mn2+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one V4+ and one Mn2+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one P5+ atom.},
doi = {10.17188/1285439},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}