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Title: Materials Data on H7O4 by Materials Project

Abstract

H2(H3O2)4 crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of four hydrogen molecules and two H3O2 sheets oriented in the (0, 1, 0) direction. In each H3O2 sheet, there are three inequivalent H sites. In the first H site, H is bonded in a linear geometry to two equivalent O atoms. Both H–O bond lengths are 1.20 Å. In the second H site, H is bonded in a bent 150 degrees geometry to two equivalent O atoms. Both H–O bond lengths are 1.21 Å. In the third H site, H is bonded in a linear geometry to two equivalent O atoms. Both H–O bond lengths are 1.21 Å. O is bonded in a T-shaped geometry to three H atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-696717
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; H7O4; H-O
OSTI Identifier:
1285036
DOI:
10.17188/1285036

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on H7O4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1285036.
Persson, Kristin, & Project, Materials. Materials Data on H7O4 by Materials Project. United States. doi:10.17188/1285036.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on H7O4 by Materials Project". United States. doi:10.17188/1285036. https://www.osti.gov/servlets/purl/1285036. Pub date:Mon Jul 24 00:00:00 EDT 2017
@article{osti_1285036,
title = {Materials Data on H7O4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {H2(H3O2)4 crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of four hydrogen molecules and two H3O2 sheets oriented in the (0, 1, 0) direction. In each H3O2 sheet, there are three inequivalent H sites. In the first H site, H is bonded in a linear geometry to two equivalent O atoms. Both H–O bond lengths are 1.20 Å. In the second H site, H is bonded in a bent 150 degrees geometry to two equivalent O atoms. Both H–O bond lengths are 1.21 Å. In the third H site, H is bonded in a linear geometry to two equivalent O atoms. Both H–O bond lengths are 1.21 Å. O is bonded in a T-shaped geometry to three H atoms.},
doi = {10.17188/1285036},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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