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Title: Materials Data on Ba2MnGe2O7 by Materials Project

Abstract

Ba2MnGe2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.00 Å. Mn2+ is bonded to four equivalent O2- atoms to form MnO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. All Mn–O bond lengths are 2.08 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent MnO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ba2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Mn2+, and one Ge4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1192147
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; Ba2MnGe2O7; Ba-Ge-Mn-O
OSTI Identifier:
1758276
DOI:
https://doi.org/10.17188/1758276

Citation Formats

The Materials Project. Materials Data on Ba2MnGe2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758276.
The Materials Project. Materials Data on Ba2MnGe2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1758276
The Materials Project. 2020. "Materials Data on Ba2MnGe2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1758276. https://www.osti.gov/servlets/purl/1758276. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758276,
title = {Materials Data on Ba2MnGe2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2MnGe2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.00 Å. Mn2+ is bonded to four equivalent O2- atoms to form MnO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. All Mn–O bond lengths are 2.08 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent MnO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ba2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Mn2+, and one Ge4+ atom.},
doi = {10.17188/1758276},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}