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Title: Materials Data on Na4Sn2Ge5O17 by Materials Project

Abstract

Na4Sn2Ge5O17 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.30–2.55 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.40–2.87 Å. Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six GeO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.07–2.12 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There is two shorter (1.75 Å) and two longer (1.79 Å) Ge–O bond length. In the second Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three equivalent SnO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range frommore » 40–55°. There are a spread of Ge–O bond distances ranging from 1.76–1.82 Å. In the third Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Ge–O bond distances ranging from 1.76–1.81 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. In the second O site, O is bonded to two equivalent Na, one Sn, and one Ge atom to form distorted edge-sharing ONa2SnGe trigonal pyramids. In the third O site, O is bonded in a 3-coordinate geometry to one Na and two Ge atoms. In the fourth O site, O is bonded in a trigonal planar geometry to one Na and two Ge atoms. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent Na, one Sn, and one Ge atom. In the sixth O site, O is bonded in a distorted T-shaped geometry to one Na, one Sn, and one Ge atom. In the seventh O site, O is bonded in an L-shaped geometry to two equivalent Na atoms. In the eighth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. In the ninth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom.« less

Publication Date:
Other Number(s):
mp-1201696
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; Na4Sn2Ge5O17; Ge-Na-O-Sn
OSTI Identifier:
1753977
DOI:
https://doi.org/10.17188/1753977

Citation Formats

The Materials Project. Materials Data on Na4Sn2Ge5O17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753977.
The Materials Project. Materials Data on Na4Sn2Ge5O17 by Materials Project. United States. doi:https://doi.org/10.17188/1753977
The Materials Project. 2020. "Materials Data on Na4Sn2Ge5O17 by Materials Project". United States. doi:https://doi.org/10.17188/1753977. https://www.osti.gov/servlets/purl/1753977. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1753977,
title = {Materials Data on Na4Sn2Ge5O17 by Materials Project},
author = {The Materials Project},
abstractNote = {Na4Sn2Ge5O17 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.30–2.55 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.40–2.87 Å. Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six GeO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.07–2.12 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There is two shorter (1.75 Å) and two longer (1.79 Å) Ge–O bond length. In the second Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three equivalent SnO6 octahedra and a cornercorner with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–55°. There are a spread of Ge–O bond distances ranging from 1.76–1.82 Å. In the third Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Ge–O bond distances ranging from 1.76–1.81 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. In the second O site, O is bonded to two equivalent Na, one Sn, and one Ge atom to form distorted edge-sharing ONa2SnGe trigonal pyramids. In the third O site, O is bonded in a 3-coordinate geometry to one Na and two Ge atoms. In the fourth O site, O is bonded in a trigonal planar geometry to one Na and two Ge atoms. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent Na, one Sn, and one Ge atom. In the sixth O site, O is bonded in a distorted T-shaped geometry to one Na, one Sn, and one Ge atom. In the seventh O site, O is bonded in an L-shaped geometry to two equivalent Na atoms. In the eighth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. In the ninth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom.},
doi = {10.17188/1753977},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}