The crystal structures of PdBi modifications from in-situ high-temperature single-crystal X-ray diffraction

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Abstract

The transformation of PdBi compound at high temperatures was studied using in-situ high-temperature single-crystal X-ray diffraction. The new data about crystal structure of high temperature PdBi modification is obtained. The structure of PdBi at T = 293, 373, 423 and 473 К, is orthorhombic, space group Cmc21, unit cell parameters: a = 8.7160(3), b = 7.2031(3), c = 10.6631(4) Å, V = 669.45(4) Å3, Z = 16 (293 К). Upon further heating, a phase transition to the high-temperature modification occurs. The structure of PdBi at T = 523 and 573 К was solved in orthorhombic space group Cmcm, a = 3.6162(3), b = 10.6446(8), c = 4.4208(4) Å, V = 170.17(3) Å3, Z = 4 (523 К).

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About the authors

O. V. Кarimova

Institute of Geology of Ore Deposits RAS

Author for correspondence.
Email: oxana.karimova@gmail.com
Russian Federation, Moscow

A. A. Zolotarev

St. Petersburg State University

Email: oxana.karimova@gmail.com

Institute of Earth Sciences, St. Petersburg State University

Russian Federation, St. Petersburg

A. A. Mezhueva

Institute of Geology of Ore Deposits RAS

Email: oxana.karimova@gmail.com
Russian Federation, Moscow

L. A. Ivanova

Institute of Geology of Ore Deposits RAS

Email: oxana.karimova@gmail.com
Russian Federation, Moscow

D. A. Chareev

Institute of Experimental Mineralogy RAS; Ural Federal University; Dubna State University

Email: oxana.karimova@gmail.com
Russian Federation, Moscow region, Chernogolovka; Ekaterinburg; Moscow region, Dubna

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Supplementary files

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2. Fig. 1. SEM image of a PdBi crystal obtained in the backscattered electron detection mode.

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3. Fig. 2. Coordination polyhedra of palladium in the structure of the β-modification of PdBi.

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4. Fig. 3. Projection of the crystal structure of β-PdBi onto the plane: a – (101), b – (011).

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5. Fig. 4. Coordination polyhedron of palladium in the structure of the γ-modification of PdBi.

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6. Fig. 5. Projection of the crystal structure of γ-PdBi onto the plane: a – (101), b – (011).

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7. Fig. 6. Schematic representation of chains of palladium atoms in the structure of the PdBi compound at different temperatures, changes in the lengths of Pd–Pd bonds and the angles between them in the process of converting β-PdBi (293 and 473 K) into γ-PdBi (573 K).

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