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Title: Materials Data on SrMn2(SiO5)2 by Materials Project

Abstract

SrMn2(SiO5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.70 Å. Mn5+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent SiO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.05 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent MnO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn5+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent Mn5+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Sr2+more » atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Mn5+, and one Si4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1208671
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; SrMn2(SiO5)2; Mn-O-Si-Sr
OSTI Identifier:
1685108
DOI:
https://doi.org/10.17188/1685108

Citation Formats

The Materials Project. Materials Data on SrMn2(SiO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685108.
The Materials Project. Materials Data on SrMn2(SiO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685108
The Materials Project. 2020. "Materials Data on SrMn2(SiO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685108. https://www.osti.gov/servlets/purl/1685108. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685108,
title = {Materials Data on SrMn2(SiO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrMn2(SiO5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.70 Å. Mn5+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent SiO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.05 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent MnO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn5+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent Mn5+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Sr2+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Mn5+, and one Si4+ atom.},
doi = {10.17188/1685108},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}