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Bulk modulus and non-uniform compression of Nb3Te4 and InxNb3Te4 (x <1) channel compounds

Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan LU and Van Smaalen, Sander (2001) In Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials 57(5). p.665-672
Abstract

The crystal structures of Nb3Te4 and InxNb3Te4 [x = 0.539 (4)] are reported for a series of pressures between 0 and 40 GPa. Both compounds crystallize in space group P63/m with a = b = 10.671 and c = 3.6468 Å for Nb3Te4, and a = b = 10.677 and c = 3.6566 Å for InxNb3Te4 at ambient conditions. Phase transitions were not observed. High-pressure X-ray powder diffraction was measured using a diamond anvil cell and synchrotron radiation. Full Rietveld refinements provided the values of the lattice parameters and the values of the atomic coordinates at each pressure. The bulk modulus is found as K0 = 70 (5) GPa... (More)

The crystal structures of Nb3Te4 and InxNb3Te4 [x = 0.539 (4)] are reported for a series of pressures between 0 and 40 GPa. Both compounds crystallize in space group P63/m with a = b = 10.671 and c = 3.6468 Å for Nb3Te4, and a = b = 10.677 and c = 3.6566 Å for InxNb3Te4 at ambient conditions. Phase transitions were not observed. High-pressure X-ray powder diffraction was measured using a diamond anvil cell and synchrotron radiation. Full Rietveld refinements provided the values of the lattice parameters and the values of the atomic coordinates at each pressure. The bulk modulus is found as K0 = 70 (5) GPa for Nb3Te4 and as K0 = 73 (4) GPa for InxNb3Te4. The analysis of the pressure dependences of the detailed crystal structures shows that the compression along c involves the folding up of the quasi-one-dimensional zigzag chains of Nb. The compression perpendicular to c is entirely due to the reduction of the diameter of the channels. The presence of intercalated In atoms is found to have hardly any influence on the compression behaviour up to 40 GPa.

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author
publishing date
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Contribution to journal
publication status
published
in
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials
volume
57
issue
5
pages
8 pages
publisher
Wiley-Blackwell
external identifiers
  • Scopus:0038842541
ISSN
0108-7681
DOI
10.1107/S0108768101011685
language
English
LU publication?
no
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f50dcecd-bd17-43b1-ba75-b1486bfce64c
date added to LUP
2016-05-04 11:58:50
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2016-10-19 09:52:32
@misc{f50dcecd-bd17-43b1-ba75-b1486bfce64c,
  abstract     = {<p>The crystal structures of Nb<sub>3</sub>Te<sub>4</sub> and In<sub>x</sub>Nb<sub>3</sub>Te<sub>4</sub> [x = 0.539 (4)] are reported for a series of pressures between 0 and 40 GPa. Both compounds crystallize in space group P6<sub>3</sub>/m with a = b = 10.671 and c = 3.6468 Å for Nb<sub>3</sub>Te<sub>4</sub>, and a = b = 10.677 and c = 3.6566 Å for In<sub>x</sub>Nb<sub>3</sub>Te<sub>4</sub> at ambient conditions. Phase transitions were not observed. High-pressure X-ray powder diffraction was measured using a diamond anvil cell and synchrotron radiation. Full Rietveld refinements provided the values of the lattice parameters and the values of the atomic coordinates at each pressure. The bulk modulus is found as K<sub>0</sub> = 70 (5) GPa for Nb<sub>3</sub>Te<sub>4</sub> and as K<sub>0</sub> = 73 (4) GPa for In<sub>x</sub>Nb<sub>3</sub>Te<sub>4</sub>. The analysis of the pressure dependences of the detailed crystal structures shows that the compression along c involves the folding up of the quasi-one-dimensional zigzag chains of Nb. The compression perpendicular to c is entirely due to the reduction of the diameter of the channels. The presence of intercalated In atoms is found to have hardly any influence on the compression behaviour up to 40 GPa.</p>},
  author       = {Wunschel, Markus and Dinnebier, Robert E. and Carlson, Stefan and Van Smaalen, Sander},
  issn         = {0108-7681},
  language     = {eng},
  number       = {5},
  pages        = {665--672},
  publisher    = {ARRAY(0x8bf14c0)},
  series       = {	Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials },
  title        = {Bulk modulus and non-uniform compression of Nb<sub>3</sub>Te<sub>4</sub> and In<sub>x</sub>Nb<sub>3</sub>Te<sub>4</sub> (x <1) channel compounds},
  url          = {http://dx.doi.org/10.1107/S0108768101011685},
  volume       = {57},
  year         = {2001},
}