ChemInform Abstract: REACTIONS OF MOLECULAR CRYSTALS WITH GASES PART 3, THE RELATIONSHIP OF ANISOTROPY TO CRYSTAL STRUCTURE IN REACTIONS OF CARBOXYLIC ACIDS AND ANHYDRIDES WITH AMMONIA GAS

1974 ◽  
Vol 5 (50) ◽  
pp. no-no
Author(s):  
RODGER S. MILLER ◽  
DAVID Y. CURTIN ◽  
IAIN C. PAUL
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acids ◽  
Molecular Crystals ◽  
Ammonia Gas ◽  
Relationship Of ◽  
The Relationship

Nd7,33Ta8O28CI6 — ein Zwischenprodukt des thermischen Abbaus von Nd2Ta2O7Cl2: Präparation, Struktur und magnetische Eigenschaften / Nd7,33Ta8O28Cl6 — an Intermediate Product of the Thermal Decomposition of Nd2Ta2O7Cl2: Preparation, Crystal Structure and Magnetic Properties

1988 ◽  
Vol 43 (12) ◽  
pp. 1567-1574 ◽  
Author(s):  
U. Schaffrath ◽  
R. Gruehn
Keyword(s):  
Crystal Structure ◽  
Thermal Decomposition ◽  
Magnetic Properties ◽  
Calculated Data ◽  
Chemical Transport ◽  
Structure Type ◽  
Magnetic Susceptibilities ◽  
Relationship Of ◽  
The Relationship ◽  
Preparative Route

Abstract Single crystals of the new oxochlorotantalate Nd7.33Ta8O28Cl6, could be obtained only by chemical transport reactions (T2 → T1; T2 - 1000 °C, T, = 900 °C) with mixtures of Cl2/TaCl5 as transport agent. NdTaO4 was chosen as the starting material. A direct preparative route to Nd7.33Ta8O28Cl6 from binary and ternary components, however, was not successful. Nd7.33Ta8O28Cl6 , crystallizes in the space group Cmmm with a = 10.3381(8) Å, b = 18.865(1) Å, c - 3.9152(3) A; Z = 1. The structure was refined to R - 4.42%, R w = 2.76%. Main building units are pairs of edge-sharing TaO6 -octahedra which are connected with threefold capped trigonal prisms around Nd. Especially remarkable is one Nd position with an occupation factor of 0.833. The relationship of this new structure type with Nd2Ta2O7Cl2 is considered. Furthermore, we have measured the magnetic susceptibilities of both Nd-compounds in a temperature range from 3,6 to 251,3 K. The results are compared with calculated data.

Relationship of the nanocrystal morphology and atomistic structure with respect to the superstructure ordering within PbS- and Gold-Mesocrystals

2014 ◽  
Vol 1705 ◽  
Author(s):  
Lydia Bahrig ◽  
Danny Haubold ◽  
Falk Röder ◽  
Stephen G. Hickey ◽  
Alexander Eychmüller
Keyword(s):  
Crystal Structure ◽  
Structure Formation ◽  
Three Dimensional ◽  
Two Dimensional ◽  
Relationship Of ◽  
The Relationship ◽  
Atomistic Structure

ABSTRACTThe relationship between nanoparticle geometry and their two dimensional assembly is investigated in order to provide insights into the three dimensional arrangement of mesocrystals. The crystal structure of the nanoparticles and their homogeneity are investigated during structure formation on the mesoscale whereby effects such as fibrillation have been observed.

Optimal diamagnetic dilution concentration for suppressing the dipole–dipole interaction in single-ion magnets

2020 ◽  
Vol 49 (7) ◽  
pp. 2159-2167 ◽  
Author(s):  
Zhao-Bo Hu ◽  
Xin Feng ◽  
Jing Li ◽  
Yi-Quan Zhang ◽  
Lei Yin ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Single Crystal ◽  
Dipole Interaction ◽  
Single Crystal Structure ◽  
Dipole Field ◽  
Relationship Of ◽  
The Relationship

The relationship of magnetic properties and diamagnetic dilution has been studied for five-coordinate Co(ii) complex. It is found that the optimal dilution concentration to restrain dipole field can be given only by the single crystal structure.

The automatic selection of molecular crystal structures by combining stereochemical criteria and high-speed computing

1962 ◽  
Vol 267 (1331) ◽  
pp. 566-589 ◽  
Keyword(s):  
Crystal Structures ◽  
Molecular Crystal ◽  
High Speed ◽  
Molecular Crystals ◽  
Diamagnetic Anisotropy ◽  
Initial Stage ◽  
Trial Structure ◽  
Relationship Of ◽  
The Relationship ◽  
Selection Of

The increasing use of digital computers in the final stages of the analysis of the structures of molecular crystals now means that the selection of a trial structure for automatic refinement has become the most time-consuming phase of such analyses. This paper shows that in certain types of problem this initial stage can also be carried out on computers, by making use of stereochemical information available at the outset. Examples of the successful application of such methods are given, and ways of increasing their power and flexibility when very fast computers become available are described. The relationship of such geometrical calculations to problems in crystal physics is also indicated, and it is shown that in appropriate cases measurements of, for example, diamagnetic anisotropy can be combined with geometrical results to provide an exceptionally rapid selection of possible molecular orientations.

scholarly journals Darstellung und Kristallstruktur von Tl2TiS4 : Ein Perthiotitanat(IV) mit ∞1-[TiS42-]-Ketten Preparation and Crystal Structure of Tl2TiS4 : A Perthiotitanate(IV) with ∞1-[TiS42-]-Chains

1985 ◽  
Vol 40 (2) ◽  
pp. 229-234 ◽  
Author(s):  
Kurt O. Klepp
Keyword(s):  
Crystal Structure ◽  
Direct Methods ◽  
Single Bond ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Distorted Octahedra ◽  
Relationship Of ◽  
The Relationship ◽  
Anionic Groups

Abstract Tl2TiS4 is orthorhombic, space group Pbca, with a = 22.176(7), b = 9.484(4), c = 6.3977(9) Å, Z = 8. The crystal structure was solved by direct methods and refined to a conventional R of0.058 for 704 reflections with I ≥3σ(I). The crystal structure is characterized by infinite perthioanions, ∞1-[TiS 4/2 (S2)2- ], which are separated by Tl+ -cations. The anion chains are built up by distorted octahedra which share two skew edges to form infinite cis-chains running along [001], The two unshared S-atoms of each octahedron are connected via a S -S-single bond of 2.10 Å length. The crystal structure is described as a mixed packing of TI-and S-atoms, composed of puckered TlS2 -layers, in which the Ti-atoms occupy the octahedral interstices. The relationship of the ∞1-[TiS42- -]-chains to the anionic groups of Cs2TiS3 is discussed.

The crystal structure of christelite Zn3Cu2(SO4)2(OH)6 · 4 H2O

1996 ◽  
Vol 211 (8) ◽  
Author(s):  
G. Adiwidjaja ◽  
K. Friese ◽  
K.-H. Klaska ◽  
J. Schlüter
Keyword(s):  
Crystal Structure ◽  
Relationship Of ◽  
The Relationship

AbstractThe crystal structure of christelite ZnThe structure contains distorted [(Zn, Cu)OThe relationship of christelite with other minerals is pointed out and discussed.

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