Materials Data on NaGeSbO5 by Materials Project
NaGeSbO5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.89 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.92 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 54–59°. There is one shorter (1.77 Å) and three longer (1.78 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four SbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–63°. There are a spread of Ge–O bond distances ranging from 1.76–1.78 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of Sb–O bond distances ranging from 2.00–2.03 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of Sb–O bond distances ranging from 1.98–2.05 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Ge4+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ge4+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ge4+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ge4+ and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+, one Ge4+, and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Ge4+, and one Sb5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ge4+, and one Sb5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two Sb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Ge4+, and one Sb5+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and two Sb5+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1308044
- Report Number(s):
- mp-8341
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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