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Ce4

Irran1, Kollisch, Leoni

  • 1Department of Chemistry, University of Munich (LMU), Germany.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|September 14, 2000
PubMed
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A novel yellow-orange oxonitridosilicate oxide, Ce4[Si4O4N6]O, was synthesized. Its unique hyperbolical layer structure, [Si4O4N6]10-, was characterized using X-ray and neutron diffraction, revealing a new class of layer silicates.

Area of Science:

  • Solid-state chemistry
  • Materials science
  • Inorganic chemistry
  • Crystallography

Background:

  • Oxonitridosilicate oxides represent a complex class of inorganic materials with potential applications in various fields.
  • Understanding the synthesis and structural properties of novel compounds is crucial for advancing materials science.
  • The precise determination of atomic positions, especially for light elements like oxygen and nitrogen, presents a significant crystallographic challenge.

Purpose of the Study:

  • To synthesize and characterize a new oxonitridosilicate oxide containing cerium.
  • To elucidate the crystal structure, including the arrangement of oxygen and nitrogen atoms within the anionic framework.
  • To classify the observed structural features within the broader context of layer silicates.

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Main Methods:

  • Synthesis of the target compound, Ce4[Si4O4N6]O, via high-temperature reaction in a radiofrequency furnace.
  • Single-crystal X-ray diffraction and powder neutron diffraction for detailed crystal structure determination.
  • Lattice-energy calculations using the MAPLE concept to aid in oxygen-nitrogen differentiation.
  • Chemical analyses to confirm the composition and N/O distribution.

Main Results:

  • Successful synthesis of the yellow-orange oxonitridosilicate oxide Ce4[Si4O4N6]O.
  • Determination of a crystal structure featuring complex [Ce4O]10+ cations enveloped by a hyperbolical layer structure [Si4O4N6]10-.
  • The [Si4O4N6]10- layer is composed of corner-sharing SiON3 tetrahedra (Q3 type) with terminal oxygen and bridging nitrogen atoms.
  • Unambiguous differentiation of oxygen and nitrogen atoms was achieved through combined X-ray diffraction, neutron diffraction, and lattice-energy calculations.
  • The compound exhibits a unique hyperbolically corrugated layer topology, classified as a layer silicate based on its Si:(O,N) molar ratio of 2:5.

Conclusions:

  • The study reports the synthesis and detailed structural characterization of a novel cerium oxonitridosilicate oxide, Ce4[Si4O4N6]O.
  • The compound possesses a distinctive hyperbolical layered structure, expanding the known structural diversity within oxonitridosilicate materials.
  • The findings provide valuable insights into the synthesis and structural principles governing this class of inorganic compounds.