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Title: Materials Data on SbH18C3(NCl2)3 by Materials Project

Abstract

(CH3NH3)6(SbCl5)2Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four hydrochloric acid molecules; twelve methylammonium molecules; and two SbCl5 ribbons oriented in the (0, 1, 0) direction. In each SbCl5 ribbon, Sb3- is bonded to six Cl1- atoms to form corner-sharing SbCl6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of Sb–Cl bond distances ranging from 2.51–2.96 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the second Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two equivalent Sb3- atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-569604
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; SbH18C3(NCl2)3; C-Cl-H-N-Sb
OSTI Identifier:
1268398
DOI:
10.17188/1268398

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SbH18C3(NCl2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268398.
Persson, Kristin, & Project, Materials. Materials Data on SbH18C3(NCl2)3 by Materials Project. United States. doi:10.17188/1268398.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SbH18C3(NCl2)3 by Materials Project". United States. doi:10.17188/1268398. https://www.osti.gov/servlets/purl/1268398. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1268398,
title = {Materials Data on SbH18C3(NCl2)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(CH3NH3)6(SbCl5)2Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four hydrochloric acid molecules; twelve methylammonium molecules; and two SbCl5 ribbons oriented in the (0, 1, 0) direction. In each SbCl5 ribbon, Sb3- is bonded to six Cl1- atoms to form corner-sharing SbCl6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of Sb–Cl bond distances ranging from 2.51–2.96 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the second Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two equivalent Sb3- atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3- atom.},
doi = {10.17188/1268398},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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