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Title: Materials Data on Na2GeO9 by Materials Project

Abstract

Na2GeO9 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first 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 2.25–2.83 Å. In the second Na site, Na is bonded to five O atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent NaO5 trigonal bipyramids, corners with three equivalent GeO5 trigonal bipyramids, an edgeedge with one GeO5 trigonal bipyramid, and edges with two equivalent NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.34–2.60 Å. Ge is bonded to five O atoms to form distorted GeO5 trigonal bipyramids that share corners with three equivalent NaO5 trigonal bipyramids and an edgeedge with one NaO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.71–2.16 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Na and one Ge atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Na, one Ge, and one O atom. The O–O bondmore » length is 1.40 Å. In the third O site, O is bonded to three equivalent Na and one Ge atom to form a mixture of distorted edge and corner-sharing ONa3Ge trigonal pyramids. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Ge, and one O atom. The O–O bond length is 1.35 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.34 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.24 Å. In the seventh O site, O is bonded in a water-like geometry to one Na and one O atom. In the eighth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one O atom. In the ninth O site, O is bonded in a distorted T-shaped geometry to one Na, one Ge, and one O atom.« less

Publication Date:
Other Number(s):
mp-1180783
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; Na2GeO9; Ge-Na-O
OSTI Identifier:
1699589
DOI:
https://doi.org/10.17188/1699589

Citation Formats

The Materials Project. Materials Data on Na2GeO9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1699589.
The Materials Project. Materials Data on Na2GeO9 by Materials Project. United States. doi:https://doi.org/10.17188/1699589
The Materials Project. 2019. "Materials Data on Na2GeO9 by Materials Project". United States. doi:https://doi.org/10.17188/1699589. https://www.osti.gov/servlets/purl/1699589. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1699589,
title = {Materials Data on Na2GeO9 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2GeO9 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first 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 2.25–2.83 Å. In the second Na site, Na is bonded to five O atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent NaO5 trigonal bipyramids, corners with three equivalent GeO5 trigonal bipyramids, an edgeedge with one GeO5 trigonal bipyramid, and edges with two equivalent NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.34–2.60 Å. Ge is bonded to five O atoms to form distorted GeO5 trigonal bipyramids that share corners with three equivalent NaO5 trigonal bipyramids and an edgeedge with one NaO5 trigonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.71–2.16 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Na and one Ge atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Na, one Ge, and one O atom. The O–O bond length is 1.40 Å. In the third O site, O is bonded to three equivalent Na and one Ge atom to form a mixture of distorted edge and corner-sharing ONa3Ge trigonal pyramids. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Ge, and one O atom. The O–O bond length is 1.35 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.34 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.24 Å. In the seventh O site, O is bonded in a water-like geometry to one Na and one O atom. In the eighth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one O atom. In the ninth O site, O is bonded in a distorted T-shaped geometry to one Na, one Ge, and one O atom.},
doi = {10.17188/1699589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}