Materials Data on H4C2O by Materials Project
Abstract
CH3CHO crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of sixteen methane molecules and four CHO ribbons oriented in the (0, 0, 1) direction. In each CHO ribbon, C1- is bonded in a distorted trigonal non-coplanar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. There is one shorter (1.42 Å) and one longer (1.46 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C1- atom. O2- is bonded in a bent 120 degrees geometry to two equivalent C1- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-995219
- 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; H4C2O; C-H-O
- OSTI Identifier:
- 1317037
- DOI:
- https://doi.org/10.17188/1317037
Citation Formats
The Materials Project. Materials Data on H4C2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317037.
The Materials Project. Materials Data on H4C2O by Materials Project. United States. doi:https://doi.org/10.17188/1317037
The Materials Project. 2020.
"Materials Data on H4C2O by Materials Project". United States. doi:https://doi.org/10.17188/1317037. https://www.osti.gov/servlets/purl/1317037. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1317037,
title = {Materials Data on H4C2O by Materials Project},
author = {The Materials Project},
abstractNote = {CH3CHO crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of sixteen methane molecules and four CHO ribbons oriented in the (0, 0, 1) direction. In each CHO ribbon, C1- is bonded in a distorted trigonal non-coplanar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. There is one shorter (1.42 Å) and one longer (1.46 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one C1- atom. O2- is bonded in a bent 120 degrees geometry to two equivalent C1- atoms.},
doi = {10.17188/1317037},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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