U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2Cu3(GeO3)4 by Materials Project
Abstract
Na2Cu3(GeO3)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–3.02 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.92–1.99 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (1.97 Å) Cu–O bond length. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.74–1.81 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+, one Cu2+, and one Ge4+ atom. In the second O2- site, O2- ismore »
- Publication Date:
- Other Number(s):
- mp-18637
- 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; Cu-Ge-Na-O; Na2Cu3(GeO3)4; crystal structure
- OSTI Identifier:
- 1193303
- DOI:
- https://doi.org/10.17188/1193303
Citation Formats
Materials Data on Na2Cu3(GeO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193303.
Materials Data on Na2Cu3(GeO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1193303
2020.
"Materials Data on Na2Cu3(GeO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1193303. https://www.osti.gov/servlets/purl/1193303. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1193303,
title = {Materials Data on Na2Cu3(GeO3)4 by Materials Project},
abstractNote = {Na2Cu3(GeO3)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–3.02 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.92–1.99 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (1.97 Å) Cu–O bond length. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.74–1.81 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+, one Cu2+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+, one Cu2+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cu2+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Na1+ and two Ge4+ atoms to form distorted ONa2Ge2 trigonal pyramids that share corners with three equivalent ONaCu2Ge trigonal pyramids and an edgeedge with one ONa2Ge2 trigonal pyramid. In the sixth O2- site, O2- is bonded to one Na1+, two Cu2+, and one Ge4+ atom to form distorted corner-sharing ONaCu2Ge trigonal pyramids.},
doi = {10.17188/1193303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}