Atomic structure solution of the complex quasicrystal approximant Al77Rh15Ru8 from electron diffraction data

Shmuel Samuha; Enrico Mugnaioli; Benjamin Grushko; Ute Kolb; Louisa Meshi

doi:10.1107/S2052520614022033

Atomic structure solution of the complex quasicrystal approximant Al77Rh15Ru8 from electron diffraction data

Shmuel Samuha, Enrico Mugnaioli, Benjamin Grushko, Ute Kolb, Louisa Meshi

Department of Materials Engineering

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

15 Scopus citations

Abstract

The crystal structure of the novel Al₇₇Rh₁₅Ru₈ phase (which is an approximant of decagonal quasicrystals) was determined using modern direct methods (MDM) applied to automated electron diffraction tomography (ADT) data. The Al₇₇Rh₁₅Ru₈ E-phase is orthorhombic [Pbma, a = 23.40(5), b = 16.20(4) and c = 20.00(5)Å] and has one of the most complicated intermetallic structures solved solely by electron diffraction methods. Its structural model consists of 78 unique atomic positions in the unit cell (19 Rh/Ru and 59 Al). Precession electron diffraction (PED) patterns and high-resolution electron microscopy (HRTEM) images were used for the validation of the proposed atomic model. The structure of the E-phase is described using hierarchical packing of polyhedra and a single type of tiling in the form of a parallelogram. Based on this description, the structure of the E-phase is compared with that of the ε6-phase formed in Al-Rh-Ru at close compositions.

Original language	English
Pages (from-to)	999-1005
Number of pages	7
Journal	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
Volume	70
Issue number	6
DOIs	https://doi.org/10.1107/S2052520614022033
State	Published - 1 Dec 2014

Keywords

electron diffraction tomography
icosahedral and decagonal quasicrystals
modern direct methods

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Metals and Alloys
Materials Chemistry

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abstract = "The crystal structure of the novel Al77Rh15Ru8 phase (which is an approximant of decagonal quasicrystals) was determined using modern direct methods (MDM) applied to automated electron diffraction tomography (ADT) data. The Al77Rh15Ru8 E-phase is orthorhombic [Pbma, a = 23.40(5), b = 16.20(4) and c = 20.00(5){\AA}] and has one of the most complicated intermetallic structures solved solely by electron diffraction methods. Its structural model consists of 78 unique atomic positions in the unit cell (19 Rh/Ru and 59 Al). Precession electron diffraction (PED) patterns and high-resolution electron microscopy (HRTEM) images were used for the validation of the proposed atomic model. The structure of the E-phase is described using hierarchical packing of polyhedra and a single type of tiling in the form of a parallelogram. Based on this description, the structure of the E-phase is compared with that of the ε6-phase formed in Al-Rh-Ru at close compositions.",

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Atomic structure solution of the complex quasicrystal approximant Al77Rh15Ru8 from electron diffraction data. / Samuha, Shmuel; Mugnaioli, Enrico; Grushko, Benjamin et al.
In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 70, No. 6, 01.12.2014, p. 999-1005.

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

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AU - Samuha, Shmuel

AU - Mugnaioli, Enrico

AU - Grushko, Benjamin

AU - Kolb, Ute

AU - Meshi, Louisa

PY - 2014/12/1

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AB - The crystal structure of the novel Al77Rh15Ru8 phase (which is an approximant of decagonal quasicrystals) was determined using modern direct methods (MDM) applied to automated electron diffraction tomography (ADT) data. The Al77Rh15Ru8 E-phase is orthorhombic [Pbma, a = 23.40(5), b = 16.20(4) and c = 20.00(5)Å] and has one of the most complicated intermetallic structures solved solely by electron diffraction methods. Its structural model consists of 78 unique atomic positions in the unit cell (19 Rh/Ru and 59 Al). Precession electron diffraction (PED) patterns and high-resolution electron microscopy (HRTEM) images were used for the validation of the proposed atomic model. The structure of the E-phase is described using hierarchical packing of polyhedra and a single type of tiling in the form of a parallelogram. Based on this description, the structure of the E-phase is compared with that of the ε6-phase formed in Al-Rh-Ru at close compositions.

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Atomic structure solution of the complex quasicrystal approximant Al77Rh15Ru8 from electron diffraction data

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