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Title: Materials Data on Na2Al2(GeO4)3 by Materials Project

Abstract

Na2Al2(GeO4)3 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Na is bonded to six O atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent AlO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, edges with two equivalent NaO6 pentagonal pyramids, an edgeedge with one AlO4 tetrahedra, and an edgeedge with one GeO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.34–2.55 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with two equivalent NaO6 pentagonal pyramids, corners with four GeO4 tetrahedra, and an edgeedge with one NaO6 pentagonal pyramid. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. There are two 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 NaO6 pentagonal pyramids, a cornercorner with one GeO4 tetrahedra, corners with three equivalent AlO4 tetrahedra, and an edgeedge with one NaO6 pentagonal pyramid. There are a spread of Ge–O bond distances ranging from 1.75–1.78 Å. In the second Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with twomore » equivalent AlO4 tetrahedra and corners with two equivalent GeO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.78 Å) Ge–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one Ge atom. In the second O site, O is bonded in a bent 150 degrees geometry to two Ge atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Na, one Al, and one Ge atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Al, and one Ge atom. In the fifth O site, O is bonded in a 4-coordinate geometry to two equivalent Na, one Al, and one Ge atom. In the sixth O site, O is bonded in a water-like geometry to two equivalent Na atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1221522
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na2Al2(GeO4)3; Al-Ge-Na-O
OSTI Identifier:
1675604
DOI:
https://doi.org/10.17188/1675604

Citation Formats

The Materials Project. Materials Data on Na2Al2(GeO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1675604.
The Materials Project. Materials Data on Na2Al2(GeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1675604
The Materials Project. 2020. "Materials Data on Na2Al2(GeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1675604. https://www.osti.gov/servlets/purl/1675604. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1675604,
title = {Materials Data on Na2Al2(GeO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Al2(GeO4)3 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Na is bonded to six O atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent AlO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, edges with two equivalent NaO6 pentagonal pyramids, an edgeedge with one AlO4 tetrahedra, and an edgeedge with one GeO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.34–2.55 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with two equivalent NaO6 pentagonal pyramids, corners with four GeO4 tetrahedra, and an edgeedge with one NaO6 pentagonal pyramid. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. There are two 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 NaO6 pentagonal pyramids, a cornercorner with one GeO4 tetrahedra, corners with three equivalent AlO4 tetrahedra, and an edgeedge with one NaO6 pentagonal pyramid. There are a spread of Ge–O bond distances ranging from 1.75–1.78 Å. In the second Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalent GeO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.78 Å) Ge–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one Ge atom. In the second O site, O is bonded in a bent 150 degrees geometry to two Ge atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Na, one Al, and one Ge atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Al, and one Ge atom. In the fifth O site, O is bonded in a 4-coordinate geometry to two equivalent Na, one Al, and one Ge atom. In the sixth O site, O is bonded in a water-like geometry to two equivalent Na atoms.},
doi = {10.17188/1675604},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}