Crystal Structures of Important Binary Compounds

2016 ◽  
pp. 175-226
Keyword(s):  
Crystal Structures ◽  
Binary Compounds

Über einige Beziehungen zwischhen Kristallstrukturen

1956 ◽  
Vol 11 (11) ◽  
pp. 920-934b
Author(s):  
Konrad Schubert
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Spatial Correlation ◽  
Chemical Elements ◽  
Electron Gas ◽  
Lattice Constants ◽  
Hexagonal Close Packed ◽  
Binary Compounds ◽  
Atomic Radii ◽  
Insight Into

In determining structures we use physical propositions in order to find a likely crystal structure. The same propositions are of value for the ordering of known structures into a natural system. The atomic radii form such a proposition. Another proposition is contained in the spatial correlation of electrons in the electron gas. The question is, whether this correlation is of influence on the crystal structure or not. To gain a first insight into this question, it is useful to know whether the crystal structures are physically compatible with a certain spatial correlation of electrons. Some qualitative rules are given to assess the physical possibility of a spatial correlation of electrons in a crystal structure. For the crystal structures of some chemical elements proposals for electron correlation are given. These proposals account for rationalities existing between some lattice constants, e. g. the axial ratios of the hexagonal close packed structures of Co and Zn. The proposals are also applicable to some binary compounds. With regard to these commensurabilities, it seems possible that the examination of the spatial correlation of electrons may lead to a better understanding of the crystal-chemical empiry.

scholarly journals Darstellung und Kristallstruktur von K2Sn2S5 und K2Sn2Se5 / Preparation and Crystal Structure of K2Sn2S5 and K2Sn2Se5

1992 ◽  
Vol 47 (2) ◽  
pp. 197-200 ◽  
Author(s):  
Kurt O. Klepp
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Structure Type ◽  
Slow Cooling ◽  
Bond Lengths ◽  
Trigonal Bipyramidal ◽  
Equatorial Bond ◽  
Binary Compounds ◽  
R Factors ◽  
Distorted Trigonal Bipyramidal

K2Sn2S5 and K2Sn2Se5 were prepared by reacting stoichiometric powdered mixtures of the binary compounds K2S or K2Se with Sn and the corresponding chalcogen at 1070 K, followed by slow cooling of the melt. The two compounds are isostructural and crystallize with the Tl2Sn2S5 structure type, s.g. C 2/c, Z = 4 with a = 11.072(5) Å, b = 7.806(3)Å, c = 11.517(5)Å, β = 108.43(2)° for K2Sn2S5 and a = 11.613(5)Å, b = 8.189(3) Å, c = 11,897(6) Å, β = 108.28(2)° for K2Sn2Se5. The crystal structures were refined to conventional R-factors of 0.032 and 0.031, respectively. Sn-atoms are in a distorted trigonal-bipyramidal chalcogen coordination. The average equatorial bond lengths are Sn -S: 2.427 Å and Sn -Se: 2.552 Å , the axial ones are Sn -S: 2.600 Å and Sn -Se: 2.774 Å.

Structural Evolution in the Systems TAl3-xGex (T = Zr, Hf)

2019 ◽  
Vol 289 ◽  
pp. 71-76
Author(s):  
Danylo Maryskevych ◽  
Yaroslav O. Tokaychuk ◽  
Roman E. Gladyshevskii
Keyword(s):  
Solid Solution ◽  
High Temperature ◽  
Crystal Structures ◽  
Structural Evolution ◽  
Structure Type ◽  
Ternary Compounds ◽  
Pearson Symbol ◽  
The Family ◽  
Binary Compounds ◽  
High Temperature Modification

The crystal structures of the binary compounds ZrAl3 and HfAl3 at 600°C belong to the structure type ZrAl3 (Pearson symbol tI16, space group I4/mmm, a = 4.00930(11), c = 17.2718(7) Å for ZrAl3 and a = 3.9849(3), c = 17.1443(15) Å for HfAl3). Substitution of Ge atoms for Al atoms in ZrAl3 and HfAl3 led to the formation of the ternary compounds ZrAl2.52(1)Ge0.48(1) and HfAl2.40(1)Ge0.60(1), respectively, where the latter is probably part of a solid solution extending from the high-temperature modification of HfAl3. The crystal structures belong to the tetragonal structure type ht-TiAl3 (tI8, I4/mmm, a = 3.92395(11), c = 9.0476(4) Å for ZrAl2.52Ge0.48 and a = 3.9021(2), c = 8.9549(8) Å for HfAl2.40Ge0.60). The structure types ZrAl3 and ht-TiAl3 are both members of the family of close-packed structures.

Structure, stability, mechanical and electronic properties of Fe–P binary compounds by first-principles calculations

RSC Advances ◽  
2015 ◽  
Vol 5 (100) ◽  
pp. 81943-81956 ◽  
Author(s):  
Jing Wu ◽  
XiaoYu Chong ◽  
Rong Zhou ◽  
YeHua Jiang ◽  
Jing Feng
Keyword(s):  
Electronic Properties ◽  
Crystal Structures ◽  
Elastic Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Structure Stability ◽  
First Principles Calculations ◽  
Binary Compounds

The equilibrium crystal structures, stability, elastic properties, hardness and electronic structures of all the Fe–P binary compounds are investigated systematically by first principles calculations.

Search for structure-forming components in molecular crystals of binary compounds: a topological approach

2002 ◽  
Vol 217 (3) ◽  
Author(s):  
E. V. Peresypkina ◽  
V. A. Blatov
Keyword(s):  
Crystal Structures ◽  
Molecular Interactions ◽  
Molecular Crystal ◽  
Molecular Crystals ◽  
Topological Approach ◽  
Binary Compounds ◽  
Uniformity Criterion

AbstractMolecular crystal structures of 81 polymorphs of binary compounds are investigated with the method of coordination sequences and with the uniformity criterion for atomic sublattices. It is shown that using these tools one can estimate semi-quantitatively the relative force of inter-molecular interactions and to find so-called structure-forming lattice,

Comparative topological analysis of simple anhydrous borates, carbonates and nitrates

2002 ◽  
Vol 217 (9) ◽  
Author(s):  
V. A. Blatov ◽  
Yu A. Zakutkin
Keyword(s):  
Crystal Structures ◽  
Topological Analysis ◽  
Program Package ◽  
Inorganic Salts ◽  
Oxo Anions ◽  
Binary Compounds ◽  
Crystallochemical Analysis

AbstractTopological analysis and comparing of the crystal structures of anhydrous inorganic salts containing triangular oxo-anions (borates, carbonates and nitrates) was performed using the program package for multipurpose crystallochemical analysis TOPOS. The examples of topological similarities between these classes of substances and 2920 framework binary compounds A

scholarly journals Crystal Structures of Phase-Change Recording Material, GeTe-Sb2Te3 Pseudo-binary Compounds

2009 ◽  
Vol 51 (5) ◽  
pp. 292-299 ◽  
Author(s):  
Toshiyuki MATSUNAGA ◽  
Noboru YAMADA ◽  
Kouichi KIFUNE ◽  
Yoshiki KUBOTA
Keyword(s):  
Phase Change ◽  
Crystal Structures ◽  
Recording Material ◽  
Binary Compounds
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