U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2Sr(PO3)4 by Materials Project
Abstract
SrNa2P4O12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with eight equivalent PO4 tetrahedra. There are four shorter (2.36 Å) and two longer (2.72 Å) Na–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.61 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent NaO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–72°. There is two shorter (1.50 Å) and two longer (1.64 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-540951
- 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; Na2Sr(PO3)4; Na-O-P-Sr
- OSTI Identifier:
- 1264881
- DOI:
- https://doi.org/10.17188/1264881
Citation Formats
The Materials Project. Materials Data on Na2Sr(PO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264881.
The Materials Project. Materials Data on Na2Sr(PO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1264881
The Materials Project. 2020.
"Materials Data on Na2Sr(PO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1264881. https://www.osti.gov/servlets/purl/1264881. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1264881,
title = {Materials Data on Na2Sr(PO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrNa2P4O12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with eight equivalent PO4 tetrahedra. There are four shorter (2.36 Å) and two longer (2.72 Å) Na–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.61 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent NaO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–72°. There is two shorter (1.50 Å) and two longer (1.64 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Sr2+, and one P5+ atom.},
doi = {10.17188/1264881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}