skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na4Sn2Ge5O17 by Materials Project

Abstract

Na4Sn2Ge5O17 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are four 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 2.28–2.55 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 2.39–2.93 Å. In the third 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 2.32–2.51 Å. In the fourth 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 2.40–2.81 Å. There are two inequivalent Sn sites. In the first Sn site, 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 2.07–2.11 Å. In the second Sn site, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six GeO4 tetrahedra. There are a spread of Sn–Omore » bond distances ranging from 2.08–2.11 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three 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 second 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 50–54°. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. In the third Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three 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 1.76–1.81 Å. In the fourth 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 51–53°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. In the fifth 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 45°. There is two shorter (1.75 Å) and two longer (1.79 Å) Ge–O bond length. In the sixth 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 40°. There is two shorter (1.74 Å) and two longer (1.80 Å) Ge–O bond length. There are eighteen inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Na and two Ge atoms. In the second O site, O is bonded in a trigonal planar geometry to one Na and two Ge atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two Na, one Sn, and one Ge atom. In the fifth O site, O is bonded in a distorted trigonal pyramidal geometry to two Na, one Sn, and one Ge atom. In the sixth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. In the seventh O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. 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 T-shaped geometry to one Na, one Sn, and one Ge atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. In the eleventh O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. In the twelfth O site, O is bonded in a 3-coordinate geometry to two Na, one Sn, and one Ge atom. In the thirteenth O site, O is bonded in a distorted T-shaped geometry to one Na, one Sn, and one Ge atom. In the fourteenth O site, O is bonded in a distorted trigonal planar geometry to one Na and two Ge atoms. In the fifteenth O site, O is bonded in a trigonal planar geometry to one Na and two Ge atoms. In the sixteenth O site, O is bonded in a 4-coordinate geometry to two Na, one Sn, and one Ge atom. In the seventeenth O site, O is bonded in an L-shaped geometry to two equivalent Na atoms. In the eighteenth O site, O is bonded in an L-shaped geometry to two equivalent Na atoms.« less

Publication Date:
Other Number(s):
mp-1199922
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:
1694790
DOI:
https://doi.org/10.17188/1694790

Citation Formats

The Materials Project. Materials Data on Na4Sn2Ge5O17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694790.
The Materials Project. Materials Data on Na4Sn2Ge5O17 by Materials Project. United States. doi:https://doi.org/10.17188/1694790
The Materials Project. 2020. "Materials Data on Na4Sn2Ge5O17 by Materials Project". United States. doi:https://doi.org/10.17188/1694790. https://www.osti.gov/servlets/purl/1694790. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1694790,
title = {Materials Data on Na4Sn2Ge5O17 by Materials Project},
author = {The Materials Project},
abstractNote = {Na4Sn2Ge5O17 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are four 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 2.28–2.55 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 2.39–2.93 Å. In the third 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 2.32–2.51 Å. In the fourth 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 2.40–2.81 Å. There are two inequivalent Sn sites. In the first Sn site, 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 2.07–2.11 Å. In the second Sn site, 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 2.08–2.11 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three 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 second 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 50–54°. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. In the third Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three 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 1.76–1.81 Å. In the fourth 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 51–53°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. In the fifth 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 45°. There is two shorter (1.75 Å) and two longer (1.79 Å) Ge–O bond length. In the sixth 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 40°. There is two shorter (1.74 Å) and two longer (1.80 Å) Ge–O bond length. There are eighteen inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Na and two Ge atoms. In the second O site, O is bonded in a trigonal planar geometry to one Na and two Ge atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two Na, one Sn, and one Ge atom. In the fifth O site, O is bonded in a distorted trigonal pyramidal geometry to two Na, one Sn, and one Ge atom. In the sixth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. In the seventh O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. 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 T-shaped geometry to one Na, one Sn, and one Ge atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. In the eleventh O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sn, and one Ge atom. In the twelfth O site, O is bonded in a 3-coordinate geometry to two Na, one Sn, and one Ge atom. In the thirteenth O site, O is bonded in a distorted T-shaped geometry to one Na, one Sn, and one Ge atom. In the fourteenth O site, O is bonded in a distorted trigonal planar geometry to one Na and two Ge atoms. In the fifteenth O site, O is bonded in a trigonal planar geometry to one Na and two Ge atoms. In the sixteenth O site, O is bonded in a 4-coordinate geometry to two Na, one Sn, and one Ge atom. In the seventeenth O site, O is bonded in an L-shaped geometry to two equivalent Na atoms. In the eighteenth O site, O is bonded in an L-shaped geometry to two equivalent Na atoms.},
doi = {10.17188/1694790},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}