Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)

Martin Lutz; Yuxing Huang; Marc Etienne Moret; Bert Klein Gebbink

doi:10.1107/S2053229614007955

Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)

Martin Lutz^*, Yuxing Huang, Marc Etienne Moret, Bert Klein Gebbink

^*Corresponding author for this work

Sub Organic Chemistry and Catalysis

Utrecht University

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

Abstract

The title compound, [(C₂H₅)₄N][FeCl ₄], has at room temperature a disordered structure in the high-hexagonal space group P6₃mc. At 230K, the structure is merohedrally twinned in the low-hexagonal space group P6₃. The volume has increased by a factor of 9 with respect to the room-temperature structure. At 170 and 110K, the structure is identical in the orthorhombic space group Pca2₁ and twinned by reticular pseudomerohedry. The volume has doubled with respect to the room-temperature structure. All three space groups, viz. P6₃mc, P6₃ and Pca2₁, are polar and the direction of the polar axis is not affected by the twinning. In the P6 ₃ and Pca2₁ structures, all cations and anions are well ordered.

Original language	English
Pages (from-to)	470-476
Number of pages	7
Journal	Acta crystallographica. Section C, Structural chemistry
Volume	70
Issue number	5
DOIs	https://doi.org/10.1107/S2053229614007955
Publication status	Published - 1 Jan 2014

Keywords

crystal structure
group-subgroup relationship
low-temperature structures
phase transitions
tetraethylammonium tetrachloridoferrate(III)
twinned structures

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title = "Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)",

abstract = "The title compound, [(C2H5)4N][FeCl 4], has at room temperature a disordered structure in the high-hexagonal space group P63mc. At 230K, the structure is merohedrally twinned in the low-hexagonal space group P63. The volume has increased by a factor of 9 with respect to the room-temperature structure. At 170 and 110K, the structure is identical in the orthorhombic space group Pca21 and twinned by reticular pseudomerohedry. The volume has doubled with respect to the room-temperature structure. All three space groups, viz. P63mc, P63 and Pca21, are polar and the direction of the polar axis is not affected by the twinning. In the P6 3 and Pca21 structures, all cations and anions are well ordered.",

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author = "Martin Lutz and Yuxing Huang and Moret, {Marc Etienne} and {Klein Gebbink}, Bert",

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T1 - Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)

AU - Lutz, Martin

AU - Huang, Yuxing

AU - Moret, Marc Etienne

AU - Klein Gebbink, Bert

PY - 2014/1/1

Y1 - 2014/1/1

N2 - The title compound, [(C2H5)4N][FeCl 4], has at room temperature a disordered structure in the high-hexagonal space group P63mc. At 230K, the structure is merohedrally twinned in the low-hexagonal space group P63. The volume has increased by a factor of 9 with respect to the room-temperature structure. At 170 and 110K, the structure is identical in the orthorhombic space group Pca21 and twinned by reticular pseudomerohedry. The volume has doubled with respect to the room-temperature structure. All three space groups, viz. P63mc, P63 and Pca21, are polar and the direction of the polar axis is not affected by the twinning. In the P6 3 and Pca21 structures, all cations and anions are well ordered.

AB - The title compound, [(C2H5)4N][FeCl 4], has at room temperature a disordered structure in the high-hexagonal space group P63mc. At 230K, the structure is merohedrally twinned in the low-hexagonal space group P63. The volume has increased by a factor of 9 with respect to the room-temperature structure. At 170 and 110K, the structure is identical in the orthorhombic space group Pca21 and twinned by reticular pseudomerohedry. The volume has doubled with respect to the room-temperature structure. All three space groups, viz. P63mc, P63 and Pca21, are polar and the direction of the polar axis is not affected by the twinning. In the P6 3 and Pca21 structures, all cations and anions are well ordered.

KW - crystal structure

KW - group-subgroup relationship

KW - low-temperature structures

KW - phase transitions

KW - tetraethylammonium tetrachloridoferrate(III)

KW - twinned structures

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Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)

Abstract

Keywords

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