U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na4Hf2(GeO4)3 by Materials Project
Abstract
Na4Hf2(GeO4)3 crystallizes in the trigonal R-3c 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 equivalent O2- atoms. All Na–O bond lengths are 2.47 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.55–2.63 Å. Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with six equivalent GeO4 tetrahedra. There are three shorter (2.03 Å) and three longer (2.13 Å) Hf–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 28–41°. There is two shorter (1.76 Å) and two longer (1.77 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+, one Hf4+, and one Ge4+ atom to form a mixture of distorted corner, edge, and face-sharing ONa3HfGe trigonal bipyramids. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Hf4+, andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-14526
- 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; Na4Hf2(GeO4)3; Ge-Hf-Na-O
- OSTI Identifier:
- 1190713
- DOI:
- https://doi.org/10.17188/1190713
Citation Formats
The Materials Project. Materials Data on Na4Hf2(GeO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190713.
The Materials Project. Materials Data on Na4Hf2(GeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1190713
The Materials Project. 2020.
"Materials Data on Na4Hf2(GeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1190713. https://www.osti.gov/servlets/purl/1190713. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1190713,
title = {Materials Data on Na4Hf2(GeO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na4Hf2(GeO4)3 crystallizes in the trigonal R-3c 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 equivalent O2- atoms. All Na–O bond lengths are 2.47 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.55–2.63 Å. Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with six equivalent GeO4 tetrahedra. There are three shorter (2.03 Å) and three longer (2.13 Å) Hf–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 28–41°. There is two shorter (1.76 Å) and two longer (1.77 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+, one Hf4+, and one Ge4+ atom to form a mixture of distorted corner, edge, and face-sharing ONa3HfGe trigonal bipyramids. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Hf4+, and one Ge4+ atom.},
doi = {10.17188/1190713},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}