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Title: Materials Data on CdNO5 by Materials Project

Abstract

CdNO5 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of two CdNO5 sheets oriented in the (0, 0, 1) direction. Cd is bonded to six O atoms to form a mixture of distorted edge and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of Cd–O bond distances ranging from 2.25–2.47 Å. N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.23 Å) and one longer (1.39 Å) N–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cd and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Cd and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom.

Publication Date:
Other Number(s):
mp-1213955
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; CdNO5; Cd-N-O
OSTI Identifier:
1677888
DOI:
https://doi.org/10.17188/1677888

Citation Formats

The Materials Project. Materials Data on CdNO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677888.
The Materials Project. Materials Data on CdNO5 by Materials Project. United States. doi:https://doi.org/10.17188/1677888
The Materials Project. 2020. "Materials Data on CdNO5 by Materials Project". United States. doi:https://doi.org/10.17188/1677888. https://www.osti.gov/servlets/purl/1677888. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1677888,
title = {Materials Data on CdNO5 by Materials Project},
author = {The Materials Project},
abstractNote = {CdNO5 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of two CdNO5 sheets oriented in the (0, 0, 1) direction. Cd is bonded to six O atoms to form a mixture of distorted edge and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of Cd–O bond distances ranging from 2.25–2.47 Å. N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.23 Å) and one longer (1.39 Å) N–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cd and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Cd and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom.},
doi = {10.17188/1677888},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}