U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2ZnH4(SO4)2 by Materials Project
Abstract
Na2ZnH4(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with four equivalent SO4 tetrahedra and an edgeedge with one NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.29–2.41 Å. Zn2+ is bonded in a distorted linear geometry to two equivalent H1+ and two equivalent O2- atoms. Both Zn–H bond lengths are 2.10 Å. Both Zn–O bond lengths are 1.86 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one H1+ atom. The H–H bond length is 0.76 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one Zn2+ and one H1+ atom. S4+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.47–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one S4+ atom. In the second O2- site, O2- is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1210740
- 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; Na2ZnH4(SO4)2; H-Na-O-S-Zn
- OSTI Identifier:
- 1663485
- DOI:
- https://doi.org/10.17188/1663485
Citation Formats
The Materials Project. Materials Data on Na2ZnH4(SO4)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1663485.
The Materials Project. Materials Data on Na2ZnH4(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1663485
The Materials Project. 2019.
"Materials Data on Na2ZnH4(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1663485. https://www.osti.gov/servlets/purl/1663485. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1663485,
title = {Materials Data on Na2ZnH4(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2ZnH4(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with four equivalent SO4 tetrahedra and an edgeedge with one NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.29–2.41 Å. Zn2+ is bonded in a distorted linear geometry to two equivalent H1+ and two equivalent O2- atoms. Both Zn–H bond lengths are 2.10 Å. Both Zn–O bond lengths are 1.86 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one H1+ atom. The H–H bond length is 0.76 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one Zn2+ and one H1+ atom. S4+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.47–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one S4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one S4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one S4+ atom.},
doi = {10.17188/1663485},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}