U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sn2H10C4N2O9F2 by Materials Project
Abstract
(NH4)2(SnC2O4F)2H2O crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of eight ammonium molecules; four water molecules; and two SnC2O4F ribbons oriented in the (2, 0, 1) direction. In each SnC2O4F ribbon, there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are a spread of Sn–O bond distances ranging from 2.31–2.59 Å. The Sn–F bond length is 2.14 Å. In the second Sn4+ site, Sn4+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are a spread of Sn–O bond distances ranging from 2.34–2.65 Å. The Sn–F bond length is 2.09 Å. There are four inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the second C2+ site, C2+ 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 C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Theremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-738663
- 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; Sn2H10C4N2O9F2; C-F-H-N-O-Sn
- OSTI Identifier:
- 1287898
- DOI:
- https://doi.org/10.17188/1287898
Citation Formats
The Materials Project. Materials Data on Sn2H10C4N2O9F2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287898.
The Materials Project. Materials Data on Sn2H10C4N2O9F2 by Materials Project. United States. doi:https://doi.org/10.17188/1287898
The Materials Project. 2020.
"Materials Data on Sn2H10C4N2O9F2 by Materials Project". United States. doi:https://doi.org/10.17188/1287898. https://www.osti.gov/servlets/purl/1287898. Pub date:Sat May 30 00:00:00 EDT 2020
@article{osti_1287898,
title = {Materials Data on Sn2H10C4N2O9F2 by Materials Project},
author = {The Materials Project},
abstractNote = {(NH4)2(SnC2O4F)2H2O crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of eight ammonium molecules; four water molecules; and two SnC2O4F ribbons oriented in the (2, 0, 1) direction. In each SnC2O4F ribbon, there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are a spread of Sn–O bond distances ranging from 2.31–2.59 Å. The Sn–F bond length is 2.14 Å. In the second Sn4+ site, Sn4+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are a spread of Sn–O bond distances ranging from 2.34–2.65 Å. The Sn–F bond length is 2.09 Å. There are four inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the second C2+ site, C2+ 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 C2+ site, C2+ 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 fourth C2+ site, C2+ 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. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Sn4+ and one C2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sn4+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C2+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one C2+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Sn4+ and one C2+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sn4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sn4+ atom.},
doi = {10.17188/1287898},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}