Crystal Structure of Fe1-xTe (x=0.38)

Prots, Yurii; Akselrud, Lev; Schmidt, Marcus; Burkhardt, Ulrich; Rößler, Sahana; Grin, Yuri; Schwarz, Ulrich

doi:10.1002/zaac.202000389

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Crystal Structure of Fe_1-xTe (x=0.38)

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Prots, Yurii
Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Akselrud, Lev
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Schmidt, Marcus
Marcus Schmidt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Burkhardt, Ulrich
Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Rößler, Sahana
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Grin, Yuri
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Schwarz, Ulrich
Ulrich Schwarz, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Prots, Y., Akselrud, L., Schmidt, M., Burkhardt, U., Rößler, S., Grin, Y., et al. (2021). Crystal Structure of Fe_1-xTe (x=0.38). Zeitschrift für anorganische und allgemeine Chemie, 647(2-3), 113-118. doi:10.1002/zaac.202000389.

Cite as: https://hdl.handle.net/21.11116/0000-0007-E4AD-5

Abstract

The phase Fe1-xTe (x=0.38) was obtained by short-distance chemical transport. The compound adopts a NiAs-like crystal structure, which exhibits intricate defect ordering. The substructure is described in a small unit cell (space group P (Formula presented.) m1, a=3.7892(1) Å, c=5.6896(2) Å, Z=2) with iron deficiency in every second layer along [001]. Single crystal diffraction data evidence a 2a×2a×2c unit cell. This atomic arrangement is described by means of a 3D superstructure and by a 3+1D model using a modulated 2a×2a×c supercell, respectively. © 2021 The Authors. Zeitschrift für anorganische und allgemeine Chemie published by Wiley-VCH GmbH