U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sn(PO3)2 by Materials Project
Abstract
SnOP2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sn2+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners with four PO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.26–2.47 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO4 tetrahedra and corners with two equivalent PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO4 tetrahedra and corners with two equivalent PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.63 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Sn2+ and one P5+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-767076
- 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; Sn(PO3)2; O-P-Sn
- OSTI Identifier:
- 1297320
- DOI:
- https://doi.org/10.17188/1297320
Citation Formats
The Materials Project. Materials Data on Sn(PO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1297320.
The Materials Project. Materials Data on Sn(PO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1297320
The Materials Project. 2020.
"Materials Data on Sn(PO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1297320. https://www.osti.gov/servlets/purl/1297320. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1297320,
title = {Materials Data on Sn(PO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SnOP2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sn2+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners with four PO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.26–2.47 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO4 tetrahedra and corners with two equivalent PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO4 tetrahedra and corners with two equivalent PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.63 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Sn2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms.},
doi = {10.17188/1297320},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}