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Title: Materials Data on NaGeSb5O by Materials Project

Abstract

NaGeSb5O crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a distorted single-bond geometry to three Sb+0.60- and one O2- atom. There are two shorter (3.45 Å) and one longer (3.79 Å) Na–Sb bond lengths. The Na–O bond length is 2.26 Å. Ge4+ is bonded in a distorted hexagonal planar geometry to six Sb+0.60- atoms. There are a spread of Ge–Sb bond distances ranging from 2.91–3.12 Å. There are three inequivalent Sb+0.60- sites. In the first Sb+0.60- site, Sb+0.60- is bonded in a 5-coordinate geometry to one Na1+, two equivalent Ge4+, and two equivalent Sb+0.60- atoms. Both Sb–Sb bond lengths are 3.05 Å. In the second Sb+0.60- site, Sb+0.60- is bonded in a 1-coordinate geometry to one Na1+, one Ge4+, and four Sb+0.60- atoms. There are a spread of Sb–Sb bond distances ranging from 2.97–3.22 Å. In the third Sb+0.60- site, Sb+0.60- is bonded in a distorted single-bond geometry to one Ge4+, two equivalent Sb+0.60-, and one O2- atom. The Sb–O bond length is 2.04 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two equivalent Sb+0.60- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1210268
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; NaGeSb5O; Ge-Na-O-Sb
OSTI Identifier:
1674510
DOI:
https://doi.org/10.17188/1674510

Citation Formats

The Materials Project. Materials Data on NaGeSb5O by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1674510.
The Materials Project. Materials Data on NaGeSb5O by Materials Project. United States. doi:https://doi.org/10.17188/1674510
The Materials Project. 2019. "Materials Data on NaGeSb5O by Materials Project". United States. doi:https://doi.org/10.17188/1674510. https://www.osti.gov/servlets/purl/1674510. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1674510,
title = {Materials Data on NaGeSb5O by Materials Project},
author = {The Materials Project},
abstractNote = {NaGeSb5O crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a distorted single-bond geometry to three Sb+0.60- and one O2- atom. There are two shorter (3.45 Å) and one longer (3.79 Å) Na–Sb bond lengths. The Na–O bond length is 2.26 Å. Ge4+ is bonded in a distorted hexagonal planar geometry to six Sb+0.60- atoms. There are a spread of Ge–Sb bond distances ranging from 2.91–3.12 Å. There are three inequivalent Sb+0.60- sites. In the first Sb+0.60- site, Sb+0.60- is bonded in a 5-coordinate geometry to one Na1+, two equivalent Ge4+, and two equivalent Sb+0.60- atoms. Both Sb–Sb bond lengths are 3.05 Å. In the second Sb+0.60- site, Sb+0.60- is bonded in a 1-coordinate geometry to one Na1+, one Ge4+, and four Sb+0.60- atoms. There are a spread of Sb–Sb bond distances ranging from 2.97–3.22 Å. In the third Sb+0.60- site, Sb+0.60- is bonded in a distorted single-bond geometry to one Ge4+, two equivalent Sb+0.60-, and one O2- atom. The Sb–O bond length is 2.04 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two equivalent Sb+0.60- atoms.},
doi = {10.17188/1674510},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}