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Title: Materials Data on H11C4NO10 by Materials Project

Abstract

NH4(CH3O3)2HC2O4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonium molecules, four formic acid water molecules, and two HC2O4 clusters. In each HC2O4 cluster, there are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.11 Å) and one longer (1.35 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one C3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometrymore » to one C3+ and one H1+ atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1271405
Report Number(s):
mp-560323
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; H11C4NO10; C-H-N-O

Citation Formats

The Materials Project. Materials Data on H11C4NO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271405.
The Materials Project. Materials Data on H11C4NO10 by Materials Project. United States. https://doi.org/10.17188/1271405
The Materials Project. 2020. "Materials Data on H11C4NO10 by Materials Project". United States. https://doi.org/10.17188/1271405. https://www.osti.gov/servlets/purl/1271405.
@article{osti_1271405,
title = {Materials Data on H11C4NO10 by Materials Project},
author = {The Materials Project},
abstractNote = {NH4(CH3O3)2HC2O4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonium molecules, four formic acid water molecules, and two HC2O4 clusters. In each HC2O4 cluster, there are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.11 Å) and one longer (1.35 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one C3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one C3+ and one H1+ atom.},
doi = {10.17188/1271405},
url = {https://www.osti.gov/biblio/1271405}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}