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Title: Materials Data on Sn2N2O by Materials Project

Abstract

Sn2N2O crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a 9-coordinate geometry to one Sn4+, four N3-, and two O2- atoms. The Sn–Sn bond length is 2.24 Å. There are a spread of Sn–N bond distances ranging from 2.14–2.36 Å. There are one shorter (2.29 Å) and one longer (2.68 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded in a 3-coordinate geometry to three N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 1.60–2.13 Å. The Sn–O bond length is 1.83 Å. In the third Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to four N3- and two O2- atoms. There are a spread of Sn–N bond distances ranging from 2.26–2.57 Å. There are one shorter (2.22 Å) and one longer (2.55 Å) Sn–O bond lengths. In the fourth Sn4+ site, Sn4+ is bonded in a 5-coordinate geometry to one Sn4+, four N3-, and two O2- atoms. The Sn–Sn bond length is 2.22 Å. There are a spread of Sn–N bond distances ranging from 1.83–2.54 Å. There are one shorter (2.14more » Å) and one longer (2.32 Å) Sn–O bond lengths. In the fifth Sn4+ site, Sn4+ is bonded in a 2-coordinate geometry to three N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 2.10–2.32 Å. The Sn–O bond length is 2.70 Å. In the sixth Sn4+ site, Sn4+ is bonded in a hexagonal planar geometry to four N3- and two O2- atoms. There are a spread of Sn–N bond distances ranging from 1.91–2.16 Å. There are one shorter (2.04 Å) and one longer (2.16 Å) Sn–O bond lengths. In the seventh Sn4+ site, Sn4+ is bonded in a distorted hexagonal planar geometry to five N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 1.99–2.28 Å. The Sn–O bond length is 2.43 Å. In the eighth Sn4+ site, Sn4+ is bonded in a 1-coordinate geometry to five N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 1.83–2.43 Å. The Sn–O bond length is 2.37 Å. In the ninth Sn4+ site, Sn4+ is bonded in a 4-coordinate geometry to three N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 1.94–2.20 Å. The Sn–O bond length is 1.90 Å. In the tenth Sn4+ site, Sn4+ is bonded in a 1-coordinate geometry to two N3- and two O2- atoms. There is one shorter (1.50 Å) and one longer (2.36 Å) Sn–N bond length. There are one shorter (2.17 Å) and one longer (2.35 Å) Sn–O bond lengths. In the eleventh Sn4+ site, Sn4+ is bonded in a distorted single-bond geometry to three N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 2.19–2.53 Å. The Sn–O bond length is 1.56 Å. In the twelfth Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to three N3- and three O2- atoms. There are a spread of Sn–N bond distances ranging from 2.12–2.22 Å. There are a spread of Sn–O bond distances ranging from 2.10–2.47 Å. In the thirteenth Sn4+ site, Sn4+ is bonded in a 9-coordinate geometry to two Sn4+, five N3-, and two O2- atoms. There are a spread of Sn–N bond distances ranging from 2.24–2.49 Å. There are one shorter (2.26 Å) and one longer (2.57 Å) Sn–O bond lengths. In the fourteenth Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to four N3- and two O2- atoms. There are a spread of Sn–N bond distances ranging from 1.98–2.35 Å. There are one shorter (1.84 Å) and one longer (2.51 Å) Sn–O bond lengths. In the fifteenth Sn4+ site, Sn4+ is bonded in a 4-coordinate geometry to three N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 1.84–2.36 Å. The Sn–O bond length is 2.25 Å. In the sixteenth Sn4+ site, Sn4+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sn–N bond distances ranging from 1.74–2.29 Å. There are sixteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a 7-coordinate geometry to four Sn4+ and three N3- atoms. There are a spread of N–N bond distances ranging from 2.33–2.43 Å. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four Sn4+ and two N3- atoms. The N–N bond length is 2.42 Å. In the third N3- site, N3- is bonded in a 1-coordinate geometry to four Sn4+ atoms. In the fourth N3- site, N3- is bonded in a 5-coordinate geometry to four Sn4+ and one O2- atom. The N–O bond length is 2.20 Å. In the fifth N3- site, N3- is bonded in a 7-coordinate geometry to four Sn4+ and three O2- atoms. There are a spread of N–O bond distances ranging from 1.89–2.48 Å. In the sixth N3- site, N3- is bonded in a 2-coordinate geometry to four Sn4+ and one O2- atom. The N–O bond length is 2.82 Å. In the seventh N3- site, N3- is bonded in a 3-coordinate geometry to three Sn4+ and one N3- atom. In the eighth N3- site, N3- is bonded in a 4-coordinate geometry to four Sn4+ and one O2- atom. The N–O bond length is 3.02 Å. In the ninth N3- site, N3- is bonded in a 2-coordinate geometry to four Sn4+ atoms. In the tenth N3- site, N3- is bonded in a 4-coordinate geometry to four Sn4+ atoms. In the eleventh N3- site, N3- is bonded in a 1-coordinate geometry to three Sn4+ atoms. In the twelfth N3- site, N3- is bonded in a 2-coordinate geometry to four Sn4+ atoms. In the thirteenth N3- site, N3- is bonded in a 4-coordinate geometry to four Sn4+, two N3-, and one O2- atom. The N–N bond length is 2.30 Å. The N–O bond length is 2.27 Å. In the fourteenth N3- site, N3- is bonded in a 1-coordinate geometry to four Sn4+ atoms. In the fifteenth N3- site, N3- is bonded in a 2-coordinate geometry to three Sn4+ and one N3- atom. In the sixteenth N3- site, N3- is bonded in a 2-coordinate geometry to three Sn4+ and one N3- atom. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Sn4+ and one N3- atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two Sn4+, one N3-, and two O2- atoms. There are one shorter (2.19 Å) and one longer (2.32 Å) O–O bond lengths. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sn4+, one N3-, and three O2- atoms. Both O–O bond lengths are 2.42 Å. In the fourth O2- site, O2- is bonded in a 8-coordinate geometry to three Sn4+, one N3-, and one O2- atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Sn4+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Sn4+ and one N3- atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Sn4+, one N3-, and one O2- atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four Sn4+, one N3-, and one O2- atom.« less

Publication Date:
Other Number(s):
mp-777302
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; Sn2N2O; N-O-Sn
OSTI Identifier:
1305023
DOI:
10.17188/1305023

Citation Formats

The Materials Project. Materials Data on Sn2N2O by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1305023.
The Materials Project. Materials Data on Sn2N2O by Materials Project. United States. doi:10.17188/1305023.
The Materials Project. 2014. "Materials Data on Sn2N2O by Materials Project". United States. doi:10.17188/1305023. https://www.osti.gov/servlets/purl/1305023. Pub date:Sat Feb 22 00:00:00 EST 2014
@article{osti_1305023,
title = {Materials Data on Sn2N2O by Materials Project},
author = {The Materials Project},
abstractNote = {Sn2N2O crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a 9-coordinate geometry to one Sn4+, four N3-, and two O2- atoms. The Sn–Sn bond length is 2.24 Å. There are a spread of Sn–N bond distances ranging from 2.14–2.36 Å. There are one shorter (2.29 Å) and one longer (2.68 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded in a 3-coordinate geometry to three N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 1.60–2.13 Å. The Sn–O bond length is 1.83 Å. In the third Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to four N3- and two O2- atoms. There are a spread of Sn–N bond distances ranging from 2.26–2.57 Å. There are one shorter (2.22 Å) and one longer (2.55 Å) Sn–O bond lengths. In the fourth Sn4+ site, Sn4+ is bonded in a 5-coordinate geometry to one Sn4+, four N3-, and two O2- atoms. The Sn–Sn bond length is 2.22 Å. There are a spread of Sn–N bond distances ranging from 1.83–2.54 Å. There are one shorter (2.14 Å) and one longer (2.32 Å) Sn–O bond lengths. In the fifth Sn4+ site, Sn4+ is bonded in a 2-coordinate geometry to three N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 2.10–2.32 Å. The Sn–O bond length is 2.70 Å. In the sixth Sn4+ site, Sn4+ is bonded in a hexagonal planar geometry to four N3- and two O2- atoms. There are a spread of Sn–N bond distances ranging from 1.91–2.16 Å. There are one shorter (2.04 Å) and one longer (2.16 Å) Sn–O bond lengths. In the seventh Sn4+ site, Sn4+ is bonded in a distorted hexagonal planar geometry to five N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 1.99–2.28 Å. The Sn–O bond length is 2.43 Å. In the eighth Sn4+ site, Sn4+ is bonded in a 1-coordinate geometry to five N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 1.83–2.43 Å. The Sn–O bond length is 2.37 Å. In the ninth Sn4+ site, Sn4+ is bonded in a 4-coordinate geometry to three N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 1.94–2.20 Å. The Sn–O bond length is 1.90 Å. In the tenth Sn4+ site, Sn4+ is bonded in a 1-coordinate geometry to two N3- and two O2- atoms. There is one shorter (1.50 Å) and one longer (2.36 Å) Sn–N bond length. There are one shorter (2.17 Å) and one longer (2.35 Å) Sn–O bond lengths. In the eleventh Sn4+ site, Sn4+ is bonded in a distorted single-bond geometry to three N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 2.19–2.53 Å. The Sn–O bond length is 1.56 Å. In the twelfth Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to three N3- and three O2- atoms. There are a spread of Sn–N bond distances ranging from 2.12–2.22 Å. There are a spread of Sn–O bond distances ranging from 2.10–2.47 Å. In the thirteenth Sn4+ site, Sn4+ is bonded in a 9-coordinate geometry to two Sn4+, five N3-, and two O2- atoms. There are a spread of Sn–N bond distances ranging from 2.24–2.49 Å. There are one shorter (2.26 Å) and one longer (2.57 Å) Sn–O bond lengths. In the fourteenth Sn4+ site, Sn4+ is bonded in a 6-coordinate geometry to four N3- and two O2- atoms. There are a spread of Sn–N bond distances ranging from 1.98–2.35 Å. There are one shorter (1.84 Å) and one longer (2.51 Å) Sn–O bond lengths. In the fifteenth Sn4+ site, Sn4+ is bonded in a 4-coordinate geometry to three N3- and one O2- atom. There are a spread of Sn–N bond distances ranging from 1.84–2.36 Å. The Sn–O bond length is 2.25 Å. In the sixteenth Sn4+ site, Sn4+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sn–N bond distances ranging from 1.74–2.29 Å. There are sixteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a 7-coordinate geometry to four Sn4+ and three N3- atoms. There are a spread of N–N bond distances ranging from 2.33–2.43 Å. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four Sn4+ and two N3- atoms. The N–N bond length is 2.42 Å. In the third N3- site, N3- is bonded in a 1-coordinate geometry to four Sn4+ atoms. In the fourth N3- site, N3- is bonded in a 5-coordinate geometry to four Sn4+ and one O2- atom. The N–O bond length is 2.20 Å. In the fifth N3- site, N3- is bonded in a 7-coordinate geometry to four Sn4+ and three O2- atoms. There are a spread of N–O bond distances ranging from 1.89–2.48 Å. In the sixth N3- site, N3- is bonded in a 2-coordinate geometry to four Sn4+ and one O2- atom. The N–O bond length is 2.82 Å. In the seventh N3- site, N3- is bonded in a 3-coordinate geometry to three Sn4+ and one N3- atom. In the eighth N3- site, N3- is bonded in a 4-coordinate geometry to four Sn4+ and one O2- atom. The N–O bond length is 3.02 Å. In the ninth N3- site, N3- is bonded in a 2-coordinate geometry to four Sn4+ atoms. In the tenth N3- site, N3- is bonded in a 4-coordinate geometry to four Sn4+ atoms. In the eleventh N3- site, N3- is bonded in a 1-coordinate geometry to three Sn4+ atoms. In the twelfth N3- site, N3- is bonded in a 2-coordinate geometry to four Sn4+ atoms. In the thirteenth N3- site, N3- is bonded in a 4-coordinate geometry to four Sn4+, two N3-, and one O2- atom. The N–N bond length is 2.30 Å. The N–O bond length is 2.27 Å. In the fourteenth N3- site, N3- is bonded in a 1-coordinate geometry to four Sn4+ atoms. In the fifteenth N3- site, N3- is bonded in a 2-coordinate geometry to three Sn4+ and one N3- atom. In the sixteenth N3- site, N3- is bonded in a 2-coordinate geometry to three Sn4+ and one N3- atom. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Sn4+ and one N3- atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two Sn4+, one N3-, and two O2- atoms. There are one shorter (2.19 Å) and one longer (2.32 Å) O–O bond lengths. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sn4+, one N3-, and three O2- atoms. Both O–O bond lengths are 2.42 Å. In the fourth O2- site, O2- is bonded in a 8-coordinate geometry to three Sn4+, one N3-, and one O2- atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Sn4+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Sn4+ and one N3- atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Sn4+, one N3-, and one O2- atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four Sn4+, one N3-, and one O2- atom.},
doi = {10.17188/1305023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}

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