DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NaZnSiHO4 by Materials Project

Abstract

NaZnSiHO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.57 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.96–2.01 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.57 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+, one Zn2+, and one Si4+ atom to form distorted corner-sharing ONa2ZnSi tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Zn2+, one Si4+, and one H1+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+more » and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Si4+, and one H1+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-699219
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; NaZnSiHO4; H-Na-O-Si-Zn
OSTI Identifier:
1285463
DOI:
https://doi.org/10.17188/1285463

Citation Formats

The Materials Project. Materials Data on NaZnSiHO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285463.
The Materials Project. Materials Data on NaZnSiHO4 by Materials Project. United States. doi:https://doi.org/10.17188/1285463
The Materials Project. 2020. "Materials Data on NaZnSiHO4 by Materials Project". United States. doi:https://doi.org/10.17188/1285463. https://www.osti.gov/servlets/purl/1285463. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1285463,
title = {Materials Data on NaZnSiHO4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaZnSiHO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.57 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.96–2.01 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.57 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+, one Zn2+, and one Si4+ atom to form distorted corner-sharing ONa2ZnSi tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Zn2+, one Si4+, and one H1+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Si4+, and one H1+ atom.},
doi = {10.17188/1285463},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}