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Title: Materials Data on H32W9C8S8(N2O15)2 by Materials Project

Abstract

W9(S4O11)2(N(CH3)4)2N2(H2O2)4 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four ammonia molecules, four tetramethylammonium molecules, sixteen water molecules, and two W9(S4O11)2 clusters. In each W9(S4O11)2 cluster, there are five inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to two S and four O atoms. There are one shorter (2.39 Å) and one longer (2.41 Å) W–S bond lengths. There are a spread of W–O bond distances ranging from 1.75–2.33 Å. In the second W site, W is bonded in a 6-coordinate geometry to two S and four O atoms. There are one shorter (2.39 Å) and one longer (2.40 Å) W–S bond lengths. There are a spread of W–O bond distances ranging from 1.75–2.32 Å. In the third W site, W is bonded in a 6-coordinate geometry to two S and four O atoms. There are one shorter (2.40 Å) and one longer (2.42 Å) W–S bond lengths. There are a spread of W–O bond distances ranging from 1.73–2.38 Å. In the fourth W site, W is bonded in a 6-coordinate geometry to two S and four O atoms. There are one shorter (2.40 Å) and onemore » longer (2.41 Å) W–S bond lengths. There are a spread of W–O bond distances ranging from 1.74–2.37 Å. In the fifth W site, W is bonded in a distorted octahedral geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.76–2.15 Å. There are four inequivalent S sites. In the first S site, S is bonded in an L-shaped geometry to two W atoms. In the second S site, S is bonded in an L-shaped geometry to two W atoms. In the third S site, S is bonded in an L-shaped geometry to two W atoms. In the fourth S site, S is bonded in an L-shaped geometry to two W atoms. There are twelve inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to two W atoms. In the second O site, O is bonded in a single-bond geometry to one W atom. In the third O site, O is bonded in a single-bond geometry to one W atom. In the fourth O site, O is bonded in a single-bond geometry to one W atom. In the fifth O site, O is bonded in a single-bond geometry to one W atom. In the sixth O site, O is bonded in a single-bond geometry to one W atom. In the seventh O site, O is bonded in a single-bond geometry to one W atom. In the eighth O site, O is bonded in a 1-coordinate geometry to three W atoms. In the ninth O site, O is bonded in a 1-coordinate geometry to three W atoms. In the tenth O site, O is bonded in a distorted L-shaped geometry to two W atoms. In the eleventh O site, O is bonded in a distorted L-shaped geometry to two W atoms. In the twelfth O site, O is bonded in a distorted L-shaped geometry to two W atoms.« less

Publication Date:
Other Number(s):
mp-1228729
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; H32W9C8S8(N2O15)2; C-H-N-O-S-W
OSTI Identifier:
1729137
DOI:
https://doi.org/10.17188/1729137

Citation Formats

The Materials Project. Materials Data on H32W9C8S8(N2O15)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729137.
The Materials Project. Materials Data on H32W9C8S8(N2O15)2 by Materials Project. United States. doi:https://doi.org/10.17188/1729137
The Materials Project. 2019. "Materials Data on H32W9C8S8(N2O15)2 by Materials Project". United States. doi:https://doi.org/10.17188/1729137. https://www.osti.gov/servlets/purl/1729137. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1729137,
title = {Materials Data on H32W9C8S8(N2O15)2 by Materials Project},
author = {The Materials Project},
abstractNote = {W9(S4O11)2(N(CH3)4)2N2(H2O2)4 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four ammonia molecules, four tetramethylammonium molecules, sixteen water molecules, and two W9(S4O11)2 clusters. In each W9(S4O11)2 cluster, there are five inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to two S and four O atoms. There are one shorter (2.39 Å) and one longer (2.41 Å) W–S bond lengths. There are a spread of W–O bond distances ranging from 1.75–2.33 Å. In the second W site, W is bonded in a 6-coordinate geometry to two S and four O atoms. There are one shorter (2.39 Å) and one longer (2.40 Å) W–S bond lengths. There are a spread of W–O bond distances ranging from 1.75–2.32 Å. In the third W site, W is bonded in a 6-coordinate geometry to two S and four O atoms. There are one shorter (2.40 Å) and one longer (2.42 Å) W–S bond lengths. There are a spread of W–O bond distances ranging from 1.73–2.38 Å. In the fourth W site, W is bonded in a 6-coordinate geometry to two S and four O atoms. There are one shorter (2.40 Å) and one longer (2.41 Å) W–S bond lengths. There are a spread of W–O bond distances ranging from 1.74–2.37 Å. In the fifth W site, W is bonded in a distorted octahedral geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.76–2.15 Å. There are four inequivalent S sites. In the first S site, S is bonded in an L-shaped geometry to two W atoms. In the second S site, S is bonded in an L-shaped geometry to two W atoms. In the third S site, S is bonded in an L-shaped geometry to two W atoms. In the fourth S site, S is bonded in an L-shaped geometry to two W atoms. There are twelve inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to two W atoms. In the second O site, O is bonded in a single-bond geometry to one W atom. In the third O site, O is bonded in a single-bond geometry to one W atom. In the fourth O site, O is bonded in a single-bond geometry to one W atom. In the fifth O site, O is bonded in a single-bond geometry to one W atom. In the sixth O site, O is bonded in a single-bond geometry to one W atom. In the seventh O site, O is bonded in a single-bond geometry to one W atom. In the eighth O site, O is bonded in a 1-coordinate geometry to three W atoms. In the ninth O site, O is bonded in a 1-coordinate geometry to three W atoms. In the tenth O site, O is bonded in a distorted L-shaped geometry to two W atoms. In the eleventh O site, O is bonded in a distorted L-shaped geometry to two W atoms. In the twelfth O site, O is bonded in a distorted L-shaped geometry to two W atoms.},
doi = {10.17188/1729137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}