U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1210268
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ge-Na-O-Sb; NaGeSb5O; crystal structure
- OSTI Identifier:
- 1674510
- DOI:
- https://doi.org/10.17188/1674510
Citation Formats
Materials Data on NaGeSb5O by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1674510.
Materials Data on NaGeSb5O by Materials Project. United States. doi:https://doi.org/10.17188/1674510
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:Fri Jan 11 23:00:00 EST 2019
@article{osti_1674510,
title = {Materials Data on NaGeSb5O by 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}
}