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Title: Materials Data on SnH4C2NO4F by Materials Project

Abstract

NH4SnC2O4F crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonium molecules and two SnC2O4F ribbons oriented in the (1, 0, 0) direction. In each SnC2O4F ribbon, Sn2+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are two shorter (2.29 Å) and two longer (2.67 Å) Sn–O bond lengths. The Sn–F bond length is 2.11 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ 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 C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the fourth O2-more » site, O2- is bonded in a distorted single-bond geometry to two equivalent Sn2+ and one C3+ atom. F1- is bonded in a single-bond geometry to one Sn2+ atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1183921
Report Number(s):
mp-561270
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; SnH4C2NO4F; C-F-H-N-O-Sn

Citation Formats

The Materials Project. Materials Data on SnH4C2NO4F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1183921.
The Materials Project. Materials Data on SnH4C2NO4F by Materials Project. United States. https://doi.org/10.17188/1183921
The Materials Project. 2020. "Materials Data on SnH4C2NO4F by Materials Project". United States. https://doi.org/10.17188/1183921. https://www.osti.gov/servlets/purl/1183921.
@article{osti_1183921,
title = {Materials Data on SnH4C2NO4F by Materials Project},
author = {The Materials Project},
abstractNote = {NH4SnC2O4F crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonium molecules and two SnC2O4F ribbons oriented in the (1, 0, 0) direction. In each SnC2O4F ribbon, Sn2+ is bonded in a 5-coordinate geometry to four O2- and one F1- atom. There are two shorter (2.29 Å) and two longer (2.67 Å) Sn–O bond lengths. The Sn–F bond length is 2.11 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ 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 C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sn2+ and one C3+ atom. F1- is bonded in a single-bond geometry to one Sn2+ atom.},
doi = {10.17188/1183921},
url = {https://www.osti.gov/biblio/1183921}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}