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Title: Materials Data on CdC2O7 by Materials Project

Abstract

CdC2O5O2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one CdC2O5 ribbon oriented in the (1, 0, 0) direction. In the CdC2O5 ribbon, Cd is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Cd–O bond distances ranging from 2.06–2.79 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. In the second C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cd and one C atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cd and one C atom. In the third O site, O is bonded in a single-bond geometry to one Cd and one C atom. In the fourth O site, Omore » is bonded in a single-bond geometry to one C atom. In the fifth O site, O is bonded in a single-bond geometry to one Cd atom.« less

Publication Date:
Other Number(s):
mp-1182178
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; CdC2O7; C-Cd-O
OSTI Identifier:
1743706
DOI:
https://doi.org/10.17188/1743706

Citation Formats

The Materials Project. Materials Data on CdC2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743706.
The Materials Project. Materials Data on CdC2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1743706
The Materials Project. 2020. "Materials Data on CdC2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1743706. https://www.osti.gov/servlets/purl/1743706. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1743706,
title = {Materials Data on CdC2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {CdC2O5O2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one CdC2O5 ribbon oriented in the (1, 0, 0) direction. In the CdC2O5 ribbon, Cd is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Cd–O bond distances ranging from 2.06–2.79 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. In the second C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cd and one C atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cd and one C atom. In the third O site, O is bonded in a single-bond geometry to one Cd and one C atom. In the fourth O site, O is bonded in a single-bond geometry to one C atom. In the fifth O site, O is bonded in a single-bond geometry to one Cd atom.},
doi = {10.17188/1743706},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}