U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2P4O13 by Materials Project
Abstract
Mn2P4O13 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Mn2P4O13 sheets oriented in the (0, 0, 1) direction. Mn3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.89–1.97 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-770535
- 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; Mn2P4O13; Mn-O-P
- OSTI Identifier:
- 1299852
- DOI:
- https://doi.org/10.17188/1299852
Citation Formats
The Materials Project. Materials Data on Mn2P4O13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1299852.
The Materials Project. Materials Data on Mn2P4O13 by Materials Project. United States. doi:https://doi.org/10.17188/1299852
The Materials Project. 2020.
"Materials Data on Mn2P4O13 by Materials Project". United States. doi:https://doi.org/10.17188/1299852. https://www.osti.gov/servlets/purl/1299852. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1299852,
title = {Materials Data on Mn2P4O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2P4O13 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Mn2P4O13 sheets oriented in the (0, 0, 1) direction. Mn3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.89–1.97 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn3+ and one P5+ atom.},
doi = {10.17188/1299852},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}