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Title: Materials Data on NaMn(GeO3)2 by Materials Project

Abstract

NaMn(GeO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.84 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.95–2.25 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent MnO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–62°. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+, two equivalent Mn3+, and one Ge4+ atom to form a mixture of distorted corner and edge-sharing ONaMn2Ge tetrahedra. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Ge4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Mn3+, and one Ge4+ atom.

Publication Date:
Other Number(s):
mp-1105628
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; NaMn(GeO3)2; Ge-Mn-Na-O
OSTI Identifier:
1685448
DOI:
https://doi.org/10.17188/1685448

Citation Formats

The Materials Project. Materials Data on NaMn(GeO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685448.
The Materials Project. Materials Data on NaMn(GeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685448
The Materials Project. 2020. "Materials Data on NaMn(GeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685448. https://www.osti.gov/servlets/purl/1685448. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685448,
title = {Materials Data on NaMn(GeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaMn(GeO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.84 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.95–2.25 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent MnO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–62°. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+, two equivalent Mn3+, and one Ge4+ atom to form a mixture of distorted corner and edge-sharing ONaMn2Ge tetrahedra. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Ge4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Mn3+, and one Ge4+ atom.},
doi = {10.17188/1685448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}