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Ionic Crystal Structures02:42

Ionic Crystal Structures

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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.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
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Structures of Solids02:22

Structures of Solids

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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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Coordination Number and Geometry02:57

Coordination Number and Geometry

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For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
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Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

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The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...
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Unit Cells01:18

Unit Cells

97
A crystal's internal structure is an orderly array of atoms, ions, or molecules, and the details of this array significantly influence the solid's properties. In a crystal, periodically repeating 'structural motifs' - which could be atoms, molecules, or groups thereof - create a 'space lattice.' This is essentially a three-dimensional, infinite array of points, each surrounded by its neighbors in an identical way, forming the basic structure of the crystal.A 'unit cell' is a theoretical...
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Metallic Solids02:37

Metallic Solids

21.6K
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and...
21.6K

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Updated: Apr 18, 2026

Spark Plasma Sintering Apparatus Used for the Formation of Strontium Titanate Bicrystals
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Spark Plasma Sintering Apparatus Used for the Formation of Strontium Titanate Bicrystals

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A new tetragonal structure type for Li2B2C.

Volodymyr Pavlyuk1, Viktoriya Milashys1, Grygoriy Dmytriv1

  • 1Department of Inorganic Chemistry, Ivan Franko Lviv National University, Kyryla and Mefodiya Street 6, 79005 Lviv, Ukraine.

Acta Crystallographica. Section C, Structural Chemistry
|January 9, 2015
PubMed
Summary

Researchers discovered a new crystal structure for dilithium diboron carbide (Li2B2C). This novel material exhibits unique atomic arrangements and strong interactions between boron and carbon atoms, offering potential for new material applications.

Keywords:
Li–B–C phasesTB–LMTO–ASA methodbinary borocarbidecrystal structuredilithium diboron carbideelectron localization function (ELF) mappingintermetallic compoundsstructural materialsternary structure

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Crystallography

Background:

  • Ternary borocarbides are an important class of materials with diverse applications.
  • Understanding the crystal structure and bonding in novel borocarbides is crucial for predicting their properties.

Purpose of the Study:

  • To determine the crystal structure of the ternary compound dilithium diboron carbide (Li2B2C).
  • To investigate the atomic coordination and electronic structure of Li2B2C.
  • To identify novel structural motifs and bonding characteristics.

Main Methods:

  • Single-crystal X-ray diffraction was used to determine the crystal structure.
  • Symmetry analysis of atomic sites and coordination polyhedra.
  • Electronic structure calculations were performed using the TB-LMTO-ASA method.

Main Results:

  • Li2B2C crystallizes in a new structure type (tetragonal, space group P-4m2, tP10).
  • The structure contains fragments typical of elemental lithium and boron, and binary borocarbide B13C2.
  • Electronic structure calculations revealed strong B-C and B-B interactions.

Conclusions:

  • The discovery of the Li2B2C structure type expands the known family of ternary borocarbides.
  • The observed strong B-C and B-B interactions suggest potential for unique chemical and physical properties.
  • This study provides a foundation for further research into the properties and applications of Li2B2C.