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Title: Materials Data on Mn7GeO12 by Materials Project

Abstract

Mn7GeO12 is Hausmannite-derived structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are four inequivalent Mn+2.86+ sites. In the first Mn+2.86+ site, Mn+2.86+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with four MnO6 octahedra, corners with two equivalent GeO4 tetrahedra, and edges with four MnO6 octahedra. The corner-sharing octahedra tilt angles range from 54–61°. There are a spread of Mn–O bond distances ranging from 1.98–2.27 Å. In the second Mn+2.86+ site, Mn+2.86+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.18 Å) and four longer (2.57 Å) Mn–O bond lengths. In the third Mn+2.86+ site, Mn+2.86+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four MnO6 octahedra, corners with two equivalent GeO4 tetrahedra, and edges with four MnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Mn–O bond distances ranging from 1.90–2.31 Å. In the fourth Mn+2.86+ site, Mn+2.86+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four MnO6 octahedra, corners with two equivalent GeO4 tetrahedra, and edges with four MnO6 octahedra.more » The corner-sharing octahedra tilt angles range from 48–54°. There are a spread of Mn–O bond distances ranging from 1.98–2.26 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with twelve MnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–64°. All Ge–O bond lengths are 1.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Mn+2.86+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn+2.86+ and one Ge4+ atom. In the third O2- site, O2- is bonded to four Mn+2.86+ atoms to form a mixture of distorted corner and edge-sharing OMn4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1172871
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; Mn7GeO12; Ge-Mn-O
OSTI Identifier:
1740513
DOI:
https://doi.org/10.17188/1740513

Citation Formats

The Materials Project. Materials Data on Mn7GeO12 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1740513.
The Materials Project. Materials Data on Mn7GeO12 by Materials Project. United States. doi:https://doi.org/10.17188/1740513
The Materials Project. 2019. "Materials Data on Mn7GeO12 by Materials Project". United States. doi:https://doi.org/10.17188/1740513. https://www.osti.gov/servlets/purl/1740513. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1740513,
title = {Materials Data on Mn7GeO12 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn7GeO12 is Hausmannite-derived structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are four inequivalent Mn+2.86+ sites. In the first Mn+2.86+ site, Mn+2.86+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with four MnO6 octahedra, corners with two equivalent GeO4 tetrahedra, and edges with four MnO6 octahedra. The corner-sharing octahedra tilt angles range from 54–61°. There are a spread of Mn–O bond distances ranging from 1.98–2.27 Å. In the second Mn+2.86+ site, Mn+2.86+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.18 Å) and four longer (2.57 Å) Mn–O bond lengths. In the third Mn+2.86+ site, Mn+2.86+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four MnO6 octahedra, corners with two equivalent GeO4 tetrahedra, and edges with four MnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Mn–O bond distances ranging from 1.90–2.31 Å. In the fourth Mn+2.86+ site, Mn+2.86+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four MnO6 octahedra, corners with two equivalent GeO4 tetrahedra, and edges with four MnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There are a spread of Mn–O bond distances ranging from 1.98–2.26 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with twelve MnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–64°. All Ge–O bond lengths are 1.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Mn+2.86+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn+2.86+ and one Ge4+ atom. In the third O2- site, O2- is bonded to four Mn+2.86+ atoms to form a mixture of distorted corner and edge-sharing OMn4 tetrahedra.},
doi = {10.17188/1740513},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}