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Title: Materials Data on Sr2MnSi2O7 by Materials Project

Abstract

Sr2MnSi2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.86 Å. Mn2+ is bonded to four equivalent O2- atoms to form MnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Mn–O bond lengths are 2.05 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent MnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sr2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Mn2+, and one Si4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1191740
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; Sr2MnSi2O7; Mn-O-Si-Sr
OSTI Identifier:
1733150
DOI:
https://doi.org/10.17188/1733150

Citation Formats

The Materials Project. Materials Data on Sr2MnSi2O7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1733150.
The Materials Project. Materials Data on Sr2MnSi2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1733150
The Materials Project. 2019. "Materials Data on Sr2MnSi2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1733150. https://www.osti.gov/servlets/purl/1733150. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1733150,
title = {Materials Data on Sr2MnSi2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2MnSi2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.86 Å. Mn2+ is bonded to four equivalent O2- atoms to form MnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Mn–O bond lengths are 2.05 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent MnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sr2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Mn2+, and one Si4+ atom.},
doi = {10.17188/1733150},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}