U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SnP2O7 by Materials Project
Abstract
SnP2O7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Sn–O bond lengths are 2.03 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SnO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 18°. There is three shorter (1.52 Å) and one longer (1.59 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-17887
- 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; SnP2O7; O-P-Sn
- OSTI Identifier:
- 1192752
- DOI:
- https://doi.org/10.17188/1192752
Citation Formats
The Materials Project. Materials Data on SnP2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192752.
The Materials Project. Materials Data on SnP2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1192752
The Materials Project. 2020.
"Materials Data on SnP2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1192752. https://www.osti.gov/servlets/purl/1192752. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192752,
title = {Materials Data on SnP2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {SnP2O7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Sn–O bond lengths are 2.03 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SnO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 18°. There is three shorter (1.52 Å) and one longer (1.59 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms.},
doi = {10.17188/1192752},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}