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Title: Materials Data on ZnSi3GeH35C13BrO by Materials Project

Abstract

Ge(Si(CH3)3)3(CH2)2ZnC2H4OBr crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two germanium molecules, four methane molecules, six trimethylsilyl radical molecules, and one ZnC2H4OBr cluster. In the ZnC2H4OBr cluster, Zn2+ is bonded in a 3-coordinate geometry to one O2- and two equivalent Br1- atoms. The Zn–O bond length is 2.37 Å. There are one shorter (2.56 Å) and one longer (2.59 Å) Zn–Br bond lengths. There are two inequivalent C+3.85- sites. In the first C+3.85- site, C+3.85- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both C–H bond lengths are 1.10 Å. The C–O bond length is 1.45 Å. In the second C+3.85- site, C+3.85- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both C–H bond lengths are 1.10 Å. The C–O bond length is 1.46 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. Inmore » the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two C+3.85- atoms. Br1- is bonded in an L-shaped geometry to two equivalent Zn2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1200564
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ZnSi3GeH35C13BrO; Br-C-Ge-H-O-Si-Zn
OSTI Identifier:
1692676
DOI:
https://doi.org/10.17188/1692676

Citation Formats

The Materials Project. Materials Data on ZnSi3GeH35C13BrO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1692676.
The Materials Project. Materials Data on ZnSi3GeH35C13BrO by Materials Project. United States. doi:https://doi.org/10.17188/1692676
The Materials Project. 2020. "Materials Data on ZnSi3GeH35C13BrO by Materials Project". United States. doi:https://doi.org/10.17188/1692676. https://www.osti.gov/servlets/purl/1692676. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1692676,
title = {Materials Data on ZnSi3GeH35C13BrO by Materials Project},
author = {The Materials Project},
abstractNote = {Ge(Si(CH3)3)3(CH2)2ZnC2H4OBr crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two germanium molecules, four methane molecules, six trimethylsilyl radical molecules, and one ZnC2H4OBr cluster. In the ZnC2H4OBr cluster, Zn2+ is bonded in a 3-coordinate geometry to one O2- and two equivalent Br1- atoms. The Zn–O bond length is 2.37 Å. There are one shorter (2.56 Å) and one longer (2.59 Å) Zn–Br bond lengths. There are two inequivalent C+3.85- sites. In the first C+3.85- site, C+3.85- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both C–H bond lengths are 1.10 Å. The C–O bond length is 1.45 Å. In the second C+3.85- site, C+3.85- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both C–H bond lengths are 1.10 Å. The C–O bond length is 1.46 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two C+3.85- atoms. Br1- is bonded in an L-shaped geometry to two equivalent Zn2+ atoms.},
doi = {10.17188/1692676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}