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Title: Materials Data on Mn(PO5)2 by Materials Project

Abstract

Mn(PO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Mn(PO5)2 sheet oriented in the (-1, 0, 2) direction. Mn is bonded to six O atoms to form MnO6 octahedra that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.91 Å) and four longer (1.92 Å) Mn–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Mn and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Mn atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Mn and one P atom.

Publication Date:
Other Number(s):
mp-1211068
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; Mn(PO5)2; Mn-O-P
OSTI Identifier:
1728851
DOI:
https://doi.org/10.17188/1728851

Citation Formats

The Materials Project. Materials Data on Mn(PO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728851.
The Materials Project. Materials Data on Mn(PO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1728851
The Materials Project. 2020. "Materials Data on Mn(PO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1728851. https://www.osti.gov/servlets/purl/1728851. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1728851,
title = {Materials Data on Mn(PO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(PO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Mn(PO5)2 sheet oriented in the (-1, 0, 2) direction. Mn is bonded to six O atoms to form MnO6 octahedra that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.91 Å) and four longer (1.92 Å) Mn–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Mn and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Mn atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Mn and one P atom.},
doi = {10.17188/1728851},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}