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Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-770535
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; 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}
}