U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn3Si12H78(C13O2)2 by Materials Project
Abstract
Zn3Si4H6(CO2)2(Si(CH3)3)8 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight trimethylsilyl radical molecules and one Zn3Si4H6(CO2)2 cluster. In the Zn3Si4H6(CO2)2 cluster, there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a square co-planar geometry to four O atoms. All Zn–O bond lengths are 2.01 Å. In the second Zn site, Zn is bonded in a distorted T-shaped geometry to one C and two O atoms. The Zn–C bond length is 1.94 Å. Both Zn–O bond lengths are 1.98 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a single-bond geometry to one O atom. The Si–O bond length is 1.70 Å. In the second Si site, Si is bonded in a single-bond geometry to one O atom. The Si–O bond length is 1.70 Å. C is bonded in a tetrahedral geometry to one Zn and three H atoms. All C–H bond lengths are 1.10 Å. There are three inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C atom. In the second H site, H is bonded in a single-bond geometry to onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1203427
- 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; Zn3Si12H78(C13O2)2; C-H-O-Si-Zn
- OSTI Identifier:
- 1711956
- DOI:
- https://doi.org/10.17188/1711956
Citation Formats
The Materials Project. Materials Data on Zn3Si12H78(C13O2)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1711956.
The Materials Project. Materials Data on Zn3Si12H78(C13O2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711956
The Materials Project. 2019.
"Materials Data on Zn3Si12H78(C13O2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711956. https://www.osti.gov/servlets/purl/1711956. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1711956,
title = {Materials Data on Zn3Si12H78(C13O2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn3Si4H6(CO2)2(Si(CH3)3)8 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight trimethylsilyl radical molecules and one Zn3Si4H6(CO2)2 cluster. In the Zn3Si4H6(CO2)2 cluster, there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a square co-planar geometry to four O atoms. All Zn–O bond lengths are 2.01 Å. In the second Zn site, Zn is bonded in a distorted T-shaped geometry to one C and two O atoms. The Zn–C bond length is 1.94 Å. Both Zn–O bond lengths are 1.98 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a single-bond geometry to one O atom. The Si–O bond length is 1.70 Å. In the second Si site, Si is bonded in a single-bond geometry to one O atom. The Si–O bond length is 1.70 Å. C is bonded in a tetrahedral geometry to one Zn and three H atoms. All C–H bond lengths are 1.10 Å. There are three inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C atom. In the second H site, H is bonded in a single-bond geometry to one C atom. In the third H site, H is bonded in a single-bond geometry to one C atom. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two Zn and one Si atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two Zn and one Si atom.},
doi = {10.17188/1711956},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}