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Title: Materials Data on Mn2Sn(PO4)3 by Materials Project

Abstract

Mn2Sn(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Mn+2.50+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share corners with six equivalent PO4 tetrahedra and a faceface with one SnO6 octahedra. There are three shorter (2.01 Å) and three longer (2.23 Å) Mn–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form distorted SnO6 octahedra that share corners with six equivalent PO4 tetrahedra and faces with two equivalent MnO6 pentagonal pyramids. All Sn–O bond lengths are 2.14 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with four equivalent MnO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 38°. There is two shorter (1.51 Å) and two longer (1.59 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 Mn+2.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mn+2.50+, one Sn4+, and one P5+ atom.

Publication Date:
Other Number(s):
mp-775534
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; Mn2Sn(PO4)3; Mn-O-P-Sn
OSTI Identifier:
1303232
DOI:
10.17188/1303232

Citation Formats

The Materials Project. Materials Data on Mn2Sn(PO4)3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1303232.
The Materials Project. Materials Data on Mn2Sn(PO4)3 by Materials Project. United States. doi:10.17188/1303232.
The Materials Project. 2017. "Materials Data on Mn2Sn(PO4)3 by Materials Project". United States. doi:10.17188/1303232. https://www.osti.gov/servlets/purl/1303232. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1303232,
title = {Materials Data on Mn2Sn(PO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2Sn(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Mn+2.50+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share corners with six equivalent PO4 tetrahedra and a faceface with one SnO6 octahedra. There are three shorter (2.01 Å) and three longer (2.23 Å) Mn–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form distorted SnO6 octahedra that share corners with six equivalent PO4 tetrahedra and faces with two equivalent MnO6 pentagonal pyramids. All Sn–O bond lengths are 2.14 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with four equivalent MnO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 38°. There is two shorter (1.51 Å) and two longer (1.59 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 Mn+2.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mn+2.50+, one Sn4+, and one P5+ atom.},
doi = {10.17188/1303232},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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