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Ionic Crystal Structures02:42

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Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
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CFT focuses on...
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Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
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Tetrahedral Complexes
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Isomerism in Complexes
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Crystallizing Membrane Proteins for Structure Determination using Lipidic Mesophases
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Crystal structure of Ti

Hisanori Yamane1, Keita Hiraka1

  • 1Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, 980-8577, Japan.

Acta Crystallographica. Section E, Crystallographic Communications
|September 19, 2018
PubMed
Summary

Researchers synthesized titanium bismuth oxide single crystals. Oxygen atoms were introduced into the Ti8Bi9 structure, retaining its space group and occupying a previously vacant site within a titanium tetrahedron.

Keywords:
Bi flux growthcrystal structureinter­stitial sitetitanium bis­muth oxygen

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Area of Science:

  • Materials Science
  • Inorganic Chemistry
  • Crystallography

Background:

  • Titanium bismuth oxides are a class of materials with potential applications in various fields.
  • Understanding the structural modifications induced by doping is crucial for tailoring material properties.
  • The parent Ti8Bi9 structure lacks oxygen in specific tetrahedral sites.

Purpose of the Study:

  • To synthesize single crystals of titanium bismuth oxide with a defined oxygen stoichiometry (Ti8Bi9O0.25).
  • To investigate the structural impact of oxygen incorporation into the Ti8Bi9 crystal lattice.
  • To determine the precise location and occupancy of oxygen atoms within the structure.

Main Methods:

  • Synthesis of titanium bismuth oxide single crystals by heating titanium, titanium dioxide, and bismuth powders in an argon atmosphere.
  • Single-crystal X-ray diffraction analysis to determine the crystal structure and atomic positions.
  • Analysis of atomic distances and site occupancies.

Main Results:

  • Single crystals of Ti8Bi9O0.25 were successfully obtained.
  • The introduction of oxygen atoms into the Ti8Bi9 structure did not alter the P4/nmm space-group type.
  • Oxygen atoms occupy a previously vacant site within a Ti4 tetrahedron with an occupancy of 0.25(4) and an O-Ti bond distance of 1.8824(11) Å.

Conclusions:

  • The synthesis of oxygen-doped Ti8Bi9 is feasible, yielding single crystals of Ti8Bi9O0.25.
  • Oxygen incorporation into Ti8Bi9 preserves the parent crystal structure's symmetry.
  • The study precisely locates the interstitial oxygen within the titanium tetrahedron, providing valuable crystallographic data for this material system.