U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2NiH4(SeO5)2 by Materials Project
Abstract
Na2Ni(SeO4)2(H2O)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two water molecules and one Na2Ni(SeO4)2 cluster. In the Na2Ni(SeO4)2 cluster, Na1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 1.80–2.35 Å. Ni2+ is bonded in a 2-coordinate geometry to four O2- atoms. There is two shorter (1.69 Å) and two longer (2.09 Å) Ni–O bond length. Se6+ is bonded in a distorted L-shaped geometry to two O2- atoms. There is one shorter (1.38 Å) and one longer (1.64 Å) Se–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one Ni2+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Ni2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one Se6+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1189952
- 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; Na2NiH4(SeO5)2; H-Na-Ni-O-Se
- OSTI Identifier:
- 1721306
- DOI:
- https://doi.org/10.17188/1721306
Citation Formats
The Materials Project. Materials Data on Na2NiH4(SeO5)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1721306.
The Materials Project. Materials Data on Na2NiH4(SeO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1721306
The Materials Project. 2019.
"Materials Data on Na2NiH4(SeO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1721306. https://www.osti.gov/servlets/purl/1721306. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1721306,
title = {Materials Data on Na2NiH4(SeO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Ni(SeO4)2(H2O)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two water molecules and one Na2Ni(SeO4)2 cluster. In the Na2Ni(SeO4)2 cluster, Na1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 1.80–2.35 Å. Ni2+ is bonded in a 2-coordinate geometry to four O2- atoms. There is two shorter (1.69 Å) and two longer (2.09 Å) Ni–O bond length. Se6+ is bonded in a distorted L-shaped geometry to two O2- atoms. There is one shorter (1.38 Å) and one longer (1.64 Å) Se–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one Ni2+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Ni2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one Se6+ atom.},
doi = {10.17188/1721306},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}