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Title: Materials Data on Na3Mn2(GeO4)3 by Materials Project

Abstract

Na3Mn2(GeO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.53 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.53 Å. There are two inequivalent Mn+4.50+ sites. In the first Mn+4.50+ site, Mn+4.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Mn–O bond lengths are 1.94 Å. In the second Mn+4.50+ site, Mn+4.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Mn–O bond lengths are 1.94 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four MnO6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Ge–O bond lengths are 1.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry tomore » two equivalent Na1+, one Mn+4.50+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Mn+4.50+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Mn+4.50+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Mn+4.50+, and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-1013842
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; Na3Mn2(GeO4)3; Ge-Mn-Na-O
OSTI Identifier:
1330380
DOI:
10.17188/1330380

Citation Formats

The Materials Project. Materials Data on Na3Mn2(GeO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1330380.
The Materials Project. Materials Data on Na3Mn2(GeO4)3 by Materials Project. United States. doi:10.17188/1330380.
The Materials Project. 2020. "Materials Data on Na3Mn2(GeO4)3 by Materials Project". United States. doi:10.17188/1330380. https://www.osti.gov/servlets/purl/1330380. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1330380,
title = {Materials Data on Na3Mn2(GeO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Mn2(GeO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.53 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.53 Å. There are two inequivalent Mn+4.50+ sites. In the first Mn+4.50+ site, Mn+4.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Mn–O bond lengths are 1.94 Å. In the second Mn+4.50+ site, Mn+4.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Mn–O bond lengths are 1.94 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four MnO6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Ge–O bond lengths are 1.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Mn+4.50+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Mn+4.50+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Mn+4.50+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Mn+4.50+, and one Ge4+ atom.},
doi = {10.17188/1330380},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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