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Title: 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 » one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-14526
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}