Materials Data on Na4GeO4 by Materials Project

Dataset · Tue Jul 14 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1204176· OSTI ID:1204176

Na4GeO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with three equivalent NaO5 square pyramids, corners with two equivalent NaO4 tetrahedra, corners with three equivalent GeO4 tetrahedra, edges with five NaO5 square pyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.39–2.51 Å. In the second Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with three equivalent NaO5 square pyramids, a cornercorner with one GeO4 tetrahedra, corners with two equivalent NaO4 tetrahedra, edges with five NaO5 square pyramids, and edges with two equivalent GeO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.39–2.53 Å. In the third Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.40 Å. In the fourth Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with four NaO5 square pyramids, corners with four equivalent GeO4 tetrahedra, and edges with two equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.31–2.36 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four NaO5 square pyramids, corners with four equivalent NaO4 tetrahedra, and edges with three NaO5 square pyramids. There are a spread of Ge–O bond distances ranging from 1.77–1.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing ONa5Ge octahedra. The corner-sharing octahedra tilt angles range from 12–27°. In the second O2- site, O2- is bonded to five Na1+ and one Ge4+ atom to form a mixture of corner and edge-sharing ONa5Ge octahedra. The corner-sharing octahedra tilt angles range from 12–27°. In the third O2- site, O2- is bonded to five Na1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing ONa5Ge octahedra. The corner-sharing octahedra tilt angles range from 13–15°. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one Ge4+ atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1204176
• Report Number(s): mp-2970
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Na-O
Na4GeO4
crystal structure