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Title: Materials Data on H2CO by Materials Project

Abstract

CH2O crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of four CH2O ribbons oriented in the (0, 0, 1) direction. C2+ is bonded to two H and two equivalent O2- atoms to form corner-sharing CH2O2 tetrahedra. There is one shorter (1.10 Å) and one longer (1.11 Å) C–H bond length. There is one shorter (1.39 Å) and one longer (1.44 Å) C–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C2+ atom. In the second H site, H is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a bent 120 degrees geometry to two equivalent C2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-995226
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; H2CO; C-H-O
OSTI Identifier:
1317042
DOI:
https://doi.org/10.17188/1317042

Citation Formats

The Materials Project. Materials Data on H2CO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317042.
The Materials Project. Materials Data on H2CO by Materials Project. United States. doi:https://doi.org/10.17188/1317042
The Materials Project. 2020. "Materials Data on H2CO by Materials Project". United States. doi:https://doi.org/10.17188/1317042. https://www.osti.gov/servlets/purl/1317042. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1317042,
title = {Materials Data on H2CO by Materials Project},
author = {The Materials Project},
abstractNote = {CH2O crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of four CH2O ribbons oriented in the (0, 0, 1) direction. C2+ is bonded to two H and two equivalent O2- atoms to form corner-sharing CH2O2 tetrahedra. There is one shorter (1.10 Å) and one longer (1.11 Å) C–H bond length. There is one shorter (1.39 Å) and one longer (1.44 Å) C–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C2+ atom. In the second H site, H is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a bent 120 degrees geometry to two equivalent C2+ atoms.},
doi = {10.17188/1317042},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}