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Title: Pressure-induced structural phase transformation in cobalt(II) dicyanamide

Abstract

In situsynchrotron powder diffraction has been used to probe the pressure-dependent structural properties of the magnetic molecular framework material Co(dca) 2[dca = dicyanamide or N(CN) 2 -]. An orthorhombic (Pmnn) to monoclinic (P2 1/n) transformation to a high-pressure phase, namely γ-Co(dca) 2, occurs at 1.1 GPa. Structural determination of γ-Co(dca) 2shows that the rutile-like topology of the pristine material is retained at high pressures, with the lower symmetry allowing a progression of volume-reducing structural distortions. γ-Co(dca) 2was stable at the maximum pressure measured of 4.2 GPa. Both phases were soft, with bulk moduli (B 0) for α-Co(dca) 2and γ-Co(dca) 2of 13.15 (18) and 9.0 (6) GPa, respectively. Modest uniaxial negative linear compressibility (K) of the order of -4 TPa -1was observed over the entire measured pressure range.

Authors:
; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1392077
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Acta Crystallographica. Section B, Structural Science, Crystal Engineering and Materials (Online)
Additional Journal Information:
Journal Volume: 71; Journal Issue: 3; Journal ID: ISSN 2052-5206
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Yakovenko, Andrey A., Chapman, Karena W., and Halder, Gregory J. Pressure-induced structural phase transformation in cobalt(II) dicyanamide. United States: N. p., 2015. Web. doi:10.1107/S2052520615005867.
Yakovenko, Andrey A., Chapman, Karena W., & Halder, Gregory J. Pressure-induced structural phase transformation in cobalt(II) dicyanamide. United States. doi:10.1107/S2052520615005867.
Yakovenko, Andrey A., Chapman, Karena W., and Halder, Gregory J. Tue . "Pressure-induced structural phase transformation in cobalt(II) dicyanamide". United States. doi:10.1107/S2052520615005867.
@article{osti_1392077,
title = {Pressure-induced structural phase transformation in cobalt(II) dicyanamide},
author = {Yakovenko, Andrey A. and Chapman, Karena W. and Halder, Gregory J.},
abstractNote = {In situsynchrotron powder diffraction has been used to probe the pressure-dependent structural properties of the magnetic molecular framework material Co(dca)2[dca = dicyanamide or N(CN)2-]. An orthorhombic (Pmnn) to monoclinic (P21/n) transformation to a high-pressure phase, namely γ-Co(dca)2, occurs at 1.1 GPa. Structural determination of γ-Co(dca)2shows that the rutile-like topology of the pristine material is retained at high pressures, with the lower symmetry allowing a progression of volume-reducing structural distortions. γ-Co(dca)2was stable at the maximum pressure measured of 4.2 GPa. Both phases were soft, with bulk moduli (B0) for α-Co(dca)2and γ-Co(dca)2of 13.15 (18) and 9.0 (6) GPa, respectively. Modest uniaxial negative linear compressibility (K) of the order of -4 TPa-1was observed over the entire measured pressure range.},
doi = {10.1107/S2052520615005867},
journal = {Acta Crystallographica. Section B, Structural Science, Crystal Engineering and Materials (Online)},
issn = {2052-5206},
number = 3,
volume = 71,
place = {United States},
year = {2015},
month = {5}
}

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