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Title: Materials Data on Na4Sn4H10O11 by Materials Project

Abstract

Na4Sn4H10O11 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Na4Sn4H10O11 sheet oriented in the (-1, 0, 2) direction. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.37–2.59 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–2.32 Å. In the third Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.42 Å. In the fourth Na1+ site, Na1+ is bonded in a 1-coordinate geometry to two H1+ and six O2- atoms. There are one shorter (2.25 Å) and one longer (2.33 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.35–2.76 Å. There are four inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.14 Å. In the second Sn2+ site,more » Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.11 Å) and one longer (2.12 Å) Sn–O bond lengths. In the third Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.12–2.14 Å. In the fourth Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.05–2.15 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 1.00 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 0.98 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Na1+, one Sn2+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a tetrahedral geometry to two Na1+ and two Sn2+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Sn2+, and one H1+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn2+ and one H1+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Sn2+, and one H1+ atom.« less

Publication Date:
Other Number(s):
mp-772039
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; Na4Sn4H10O11; H-Na-O-Sn
OSTI Identifier:
1301021
DOI:
https://doi.org/10.17188/1301021

Citation Formats

The Materials Project. Materials Data on Na4Sn4H10O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301021.
The Materials Project. Materials Data on Na4Sn4H10O11 by Materials Project. United States. doi:https://doi.org/10.17188/1301021
The Materials Project. 2020. "Materials Data on Na4Sn4H10O11 by Materials Project". United States. doi:https://doi.org/10.17188/1301021. https://www.osti.gov/servlets/purl/1301021. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1301021,
title = {Materials Data on Na4Sn4H10O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Na4Sn4H10O11 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Na4Sn4H10O11 sheet oriented in the (-1, 0, 2) direction. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.37–2.59 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–2.32 Å. In the third Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.42 Å. In the fourth Na1+ site, Na1+ is bonded in a 1-coordinate geometry to two H1+ and six O2- atoms. There are one shorter (2.25 Å) and one longer (2.33 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.35–2.76 Å. There are four inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.14 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.11 Å) and one longer (2.12 Å) Sn–O bond lengths. In the third Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.12–2.14 Å. In the fourth Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.05–2.15 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 1.00 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one O2- atom. The H–O bond length is 0.98 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Na1+, one Sn2+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a tetrahedral geometry to two Na1+ and two Sn2+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Sn2+, and one H1+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one Sn2+, and one H1+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn2+ and one H1+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Sn2+, and one H1+ atom.},
doi = {10.17188/1301021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}