U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sn2C6N2O17 by Materials Project
Abstract
(Sn2(C2O5)3)2N2(NO2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules, four nitrous acid molecules, and one Sn2(C2O5)3 framework. In the Sn2(C2O5)3 framework, there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a pentagonal pyramidal geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.25 Å. In the second Sn4+ site, Sn4+ is bonded in a pentagonal pyramidal geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.33–2.55 Å. There are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the fourth C4+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1179660
- 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; Sn2C6N2O17; C-N-O-Sn
- OSTI Identifier:
- 1708071
- DOI:
- https://doi.org/10.17188/1708071
Citation Formats
The Materials Project. Materials Data on Sn2C6N2O17 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1708071.
The Materials Project. Materials Data on Sn2C6N2O17 by Materials Project. United States. doi:https://doi.org/10.17188/1708071
The Materials Project. 2020.
"Materials Data on Sn2C6N2O17 by Materials Project". United States. doi:https://doi.org/10.17188/1708071. https://www.osti.gov/servlets/purl/1708071. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1708071,
title = {Materials Data on Sn2C6N2O17 by Materials Project},
author = {The Materials Project},
abstractNote = {(Sn2(C2O5)3)2N2(NO2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules, four nitrous acid molecules, and one Sn2(C2O5)3 framework. In the Sn2(C2O5)3 framework, there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a pentagonal pyramidal geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.25 Å. In the second Sn4+ site, Sn4+ is bonded in a pentagonal pyramidal geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.33–2.55 Å. There are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the fourth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (2.60 Å) O–O bond length. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sn4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+, one C4+, and one O2- atom. The O–O bond length is 2.92 Å. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one C4+ atom. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and one C4+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C4+ atom. In the tenth O2- site, O2- is bonded in a distorted T-shaped geometry to three O2- atoms.},
doi = {10.17188/1708071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}