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Title: Materials Data on H2CO by Materials Project

Abstract

CH2O crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of two C ribbons oriented in the (1, 0, 0) direction and two H2O sheets oriented in the (0, 0, 1) direction. In each C ribbon, C2+ is bonded in a linear geometry to two equivalent C2+ atoms. Both C–C bond lengths are 1.29 Å. In each H2O sheet, there are two inequivalent H sites. In the first H site, H is bonded in a distorted bent 150 degrees geometry to two equivalent O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the second H site, H is bonded in a distorted single-bond geometry to two equivalent O2- atoms. There is one shorter (1.00 Å) and one longer (1.87 Å) H–O bond length. O2- is bonded in a distorted water-like geometry to four H atoms.

Publication Date:
Other Number(s):
mp-625082
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; H2CO; C-H-O
OSTI Identifier:
1278296
DOI:
10.17188/1278296

Citation Formats

The Materials Project. Materials Data on H2CO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278296.
The Materials Project. Materials Data on H2CO by Materials Project. United States. doi:10.17188/1278296.
The Materials Project. 2020. "Materials Data on H2CO by Materials Project". United States. doi:10.17188/1278296. https://www.osti.gov/servlets/purl/1278296. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1278296,
title = {Materials Data on H2CO by Materials Project},
author = {The Materials Project},
abstractNote = {CH2O crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of two C ribbons oriented in the (1, 0, 0) direction and two H2O sheets oriented in the (0, 0, 1) direction. In each C ribbon, C2+ is bonded in a linear geometry to two equivalent C2+ atoms. Both C–C bond lengths are 1.29 Å. In each H2O sheet, there are two inequivalent H sites. In the first H site, H is bonded in a distorted bent 150 degrees geometry to two equivalent O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the second H site, H is bonded in a distorted single-bond geometry to two equivalent O2- atoms. There is one shorter (1.00 Å) and one longer (1.87 Å) H–O bond length. O2- is bonded in a distorted water-like geometry to four H atoms.},
doi = {10.17188/1278296},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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