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Title: Materials Data on Sn3H8C2NO7 by Materials Project

Abstract

(CH3)2NH2Sn3O7 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two dimethylazanium molecules and one Sn3O7 sheet oriented in the (0, 0, 1) direction. In the Sn3O7 sheet, there are three inequivalent Sn+2.67+ sites. In the first Sn+2.67+ site, Sn+2.67+ is bonded to five O2- atoms to form distorted corner-sharing SnO5 trigonal bipyramids. There are a spread of Sn–O bond distances ranging from 1.91–2.17 Å. In the second Sn+2.67+ site, Sn+2.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 1.93–2.15 Å. In the third Sn+2.67+ site, Sn+2.67+ is bonded to four O2- atoms to form corner-sharing SnO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 1.91–2.05 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn+2.67+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sn+2.67+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn+2.67+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry tomore » one Sn+2.67+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Sn+2.67+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn+2.67+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Sn+2.67+ atom.« less

Publication Date:
Other Number(s):
mp-1016213
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sn3H8C2NO7; C-H-N-O-Sn
OSTI Identifier:
1344566
DOI:
10.17188/1344566

Citation Formats

The Materials Project. Materials Data on Sn3H8C2NO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1344566.
The Materials Project. Materials Data on Sn3H8C2NO7 by Materials Project. United States. doi:10.17188/1344566.
The Materials Project. 2020. "Materials Data on Sn3H8C2NO7 by Materials Project". United States. doi:10.17188/1344566. https://www.osti.gov/servlets/purl/1344566. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1344566,
title = {Materials Data on Sn3H8C2NO7 by Materials Project},
author = {The Materials Project},
abstractNote = {(CH3)2NH2Sn3O7 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two dimethylazanium molecules and one Sn3O7 sheet oriented in the (0, 0, 1) direction. In the Sn3O7 sheet, there are three inequivalent Sn+2.67+ sites. In the first Sn+2.67+ site, Sn+2.67+ is bonded to five O2- atoms to form distorted corner-sharing SnO5 trigonal bipyramids. There are a spread of Sn–O bond distances ranging from 1.91–2.17 Å. In the second Sn+2.67+ site, Sn+2.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 1.93–2.15 Å. In the third Sn+2.67+ site, Sn+2.67+ is bonded to four O2- atoms to form corner-sharing SnO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 1.91–2.05 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn+2.67+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sn+2.67+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn+2.67+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Sn+2.67+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Sn+2.67+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn+2.67+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Sn+2.67+ atom.},
doi = {10.17188/1344566},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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