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Title: Materials Data on Sb3H18C6N by Materials Project

Abstract

C6Sb3NH18 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four [[bis(dimethylstibanyl)amino]-methylstibanyl]methane molecules. there are six inequivalent C1- sites. In the first C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and three H1+ atoms. The C–Sb bond length is 2.19 Å. All C–H bond lengths are 1.10 Å. In the second C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and three H1+ atoms. The C–Sb bond length is 2.19 Å. All C–H bond lengths are 1.10 Å. In the third C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and three H1+ atoms. The C–Sb bond length is 2.19 Å. All C–H bond lengths are 1.10 Å. In the fourth C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and three H1+ atoms. The C–Sb bond length is 2.19 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the fifth C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and three H1+ atoms. The C–Sb bond length is 2.19 Å. Allmore » C–H bond lengths are 1.10 Å. In the sixth C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and three H1+ atoms. The C–Sb bond length is 2.18 Å. All C–H bond lengths are 1.10 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a distorted T-shaped geometry to two C1- and one N3- atom. The Sb–N bond length is 2.08 Å. In the second Sb3- site, Sb3- is bonded in a 3-coordinate geometry to two C1- and one N3- atom. The Sb–N bond length is 2.08 Å. In the third Sb3- site, Sb3- is bonded in a 3-coordinate geometry to two C1- and one N3- atom. The Sb–N bond length is 2.08 Å. N3- is bonded in a trigonal planar geometry to three Sb3- atoms. There are seventeen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom.« less

Publication Date:
Other Number(s):
mp-761898
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; Sb3H18C6N; C-H-N-Sb
OSTI Identifier:
1292331
DOI:
https://doi.org/10.17188/1292331

Citation Formats

The Materials Project. Materials Data on Sb3H18C6N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1292331.
The Materials Project. Materials Data on Sb3H18C6N by Materials Project. United States. doi:https://doi.org/10.17188/1292331
The Materials Project. 2020. "Materials Data on Sb3H18C6N by Materials Project". United States. doi:https://doi.org/10.17188/1292331. https://www.osti.gov/servlets/purl/1292331. Pub date:Sat May 30 00:00:00 EDT 2020
@article{osti_1292331,
title = {Materials Data on Sb3H18C6N by Materials Project},
author = {The Materials Project},
abstractNote = {C6Sb3NH18 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four [[bis(dimethylstibanyl)amino]-methylstibanyl]methane molecules. there are six inequivalent C1- sites. In the first C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and three H1+ atoms. The C–Sb bond length is 2.19 Å. All C–H bond lengths are 1.10 Å. In the second C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and three H1+ atoms. The C–Sb bond length is 2.19 Å. All C–H bond lengths are 1.10 Å. In the third C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and three H1+ atoms. The C–Sb bond length is 2.19 Å. All C–H bond lengths are 1.10 Å. In the fourth C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and three H1+ atoms. The C–Sb bond length is 2.19 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the fifth C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and three H1+ atoms. The C–Sb bond length is 2.19 Å. All C–H bond lengths are 1.10 Å. In the sixth C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and three H1+ atoms. The C–Sb bond length is 2.18 Å. All C–H bond lengths are 1.10 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a distorted T-shaped geometry to two C1- and one N3- atom. The Sb–N bond length is 2.08 Å. In the second Sb3- site, Sb3- is bonded in a 3-coordinate geometry to two C1- and one N3- atom. The Sb–N bond length is 2.08 Å. In the third Sb3- site, Sb3- is bonded in a 3-coordinate geometry to two C1- and one N3- atom. The Sb–N bond length is 2.08 Å. N3- is bonded in a trigonal planar geometry to three Sb3- atoms. There are seventeen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one C1- atom.},
doi = {10.17188/1292331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}