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

Andrey A. Yakovenko; Karena W. Chapman; Gregory J. Halder

doi:10.1107/S2052520615005867

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

Andrey A. Yakovenko
, Karena W. Chapman
, Gregory J. Halder

Chemistry

United States Department of Energy

Research output: Contribution to journal › Article › peer-review

20 Scopus citations

Abstract

In situ synchrotron 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 1.1GPa. Structural determination of γ-Co(dca)₂ shows 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)₂ was stable at the maximum pressure measured of 4.2GPa. Both phases were soft, with bulk moduli (B 0) for -Co(dca)₂ and γ-Co(dca)₂ of 13.15(18) and 9.0(6)GPa, respectively. Modest uniaxial negative linear compressibility (K) of the order of -4TPa^-1 was observed over the entire measured pressure range.

Original language	English
Pages (from-to)	252-257
Number of pages	6
Journal	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
Volume	71
DOIs	https://doi.org/10.1107/S2052520615005867
State	Published - Jun 1 2015

Keywords

high pressure
magnetic molecular framework material
MOFs

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10.1107/S2052520615005867

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title = "Pressure-induced structural phase transformation in cobalt(II) dicyanamide",

abstract = "In situ synchrotron 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 1.1GPa. Structural determination of γ-Co(dca)2 shows 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)2 was stable at the maximum pressure measured of 4.2GPa. Both phases were soft, with bulk moduli (B 0) for -Co(dca)2 and γ-Co(dca)2 of 13.15(18) and 9.0(6)GPa, respectively. Modest uniaxial negative linear compressibility (K) of the order of -4TPa-1 was observed over the entire measured pressure range.",

keywords = "high pressure, magnetic molecular framework material, MOFs",

author = "Yakovenko, \{Andrey A.\} and Chapman, \{Karena W.\} and Halder, \{Gregory J.\}",

note = "Publisher Copyright: {\textcopyright} 2015 International Union of Crystallography.",

year = "2015",

month = jun,

day = "1",

doi = "10.1107/S2052520615005867",

language = "English",

volume = "71",

pages = "252--257",

journal = "Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials",

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TY - JOUR

T1 - Pressure-induced structural phase transformation in cobalt(II) dicyanamide

AU - Yakovenko, Andrey A.

AU - Chapman, Karena W.

AU - Halder, Gregory J.

PY - 2015/6/1

Y1 - 2015/6/1

N2 - In situ synchrotron 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 1.1GPa. Structural determination of γ-Co(dca)2 shows 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)2 was stable at the maximum pressure measured of 4.2GPa. Both phases were soft, with bulk moduli (B 0) for -Co(dca)2 and γ-Co(dca)2 of 13.15(18) and 9.0(6)GPa, respectively. Modest uniaxial negative linear compressibility (K) of the order of -4TPa-1 was observed over the entire measured pressure range.

AB - In situ synchrotron 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 1.1GPa. Structural determination of γ-Co(dca)2 shows 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)2 was stable at the maximum pressure measured of 4.2GPa. Both phases were soft, with bulk moduli (B 0) for -Co(dca)2 and γ-Co(dca)2 of 13.15(18) and 9.0(6)GPa, respectively. Modest uniaxial negative linear compressibility (K) of the order of -4TPa-1 was observed over the entire measured pressure range.

KW - high pressure

KW - magnetic molecular framework material

KW - MOFs

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U2 - 10.1107/S2052520615005867

DO - 10.1107/S2052520615005867

M3 - Article

AN - SCOPUS:84930463487

SN - 2052-5192

VL - 71

SP - 252

EP - 257

JO - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

JF - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

ER -

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

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Keywords

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