Crystal structure of magnesium chromium vanadate Mg2CrV3O11, a member of the A2BV3O11 vanadate family

2007 ◽  
Vol 22 (3) ◽  
pp. 246-252 ◽  
Author(s):  
A. Worsztynowicz ◽  
S. M. Kaczmarek ◽  
W. Paszkowicz ◽  
R. Minikayev
Keyword(s):  
Crystal Structure ◽  
Rietveld Method ◽  
Ion Pairs ◽  
Exchange Constant ◽  
Type I ◽  
Type Ii ◽  
Paramagnetic Resonance ◽  
Interatomic Distances ◽  
Electron Paramagnetic ◽  
Full Occupancy

The crystal structure of recently discovered chromium (III) dimagnesium trivanadate (V) Mg2CrV3O11 was refined using the Rietveld method. The crystal system of Mg2CrV3O11 is triclinic with space group P1− (Mg1.7Zn0.3GaV3O11 type) and lattice parameters a=6.4057(1) Å, b=6.8111(1) Å, c=10.0640(2) Å, α=97.523(1)°, β=103.351(1)°, γ=101.750(1)°, and Z=2. The characteristic feature of compounds in the A2BV3O11 (A=Mg, Zn and B=Ga, Fe, Cr) family is a strong tendency to share the octahedral M(1) and M(2) sites by both divalent A and trivalent B atoms, and the bipyramidal M(3) sites occupied by divalent A ions. In the present refinement, the only constraint assuming full occupancy of the M(1), M(2), and M(3) sites leads to the following Cr/(Cr+Mg) ratios: 0.70(2) at M(1), 0.24(2) at M(2), and 0.03(2) at M(3). These occupancies are discussed and compared to those of isotypic compounds. The values of interatomic distances are found to be comparable with those reported by R. D. Shannon in 1976. Electron paramagnetic resonance has been also analyzed. Two absorption lines with g≈2.0 (type I) and g≈1.98 (type II) have been recorded in the EPR spectra, and attributed to V4+ ions and Cr3+–Cr3+ ion pairs, respectively. The exchange constant J between Cr3+ ions has been calculated.

scholarly journals Ba5(IO6)2: crystal structure evolution from room temperature to 80 K

2021 ◽  
Vol 77 (6) ◽  
pp. 634-637
Author(s):  
David Wenhua Bi ◽  
Priya Ranjan Baral ◽  
Arnaud Magrez
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Structural Transition ◽  
Rietveld Method ◽  
Structural Parameters ◽  
Structure Evolution ◽  
X Ray Diffraction ◽  
Lattice Contraction ◽  
Interatomic Distances ◽  
Crystallographic Axes

The crystal structure of Ba5(IO6)2, pentabarium bis(orthoperiodate), has been re-investigated at room temperature based on single-crystal X-ray diffraction data. In comparison with a previous crystal structure determination by the Rietveld method, an improved precision of the structural parameters was achieved. Additionally, low-temperature measurements allowed the crystal structure evolution to be studied down to 80 K. No evidence of structural transition was found even at the lowest temperature. Upon cooling, the lattice contraction is more pronounced along the b axis. This contraction is found to be inhomogeneous along different crystallographic axes. The interatomic distances between different Ba atoms reduce drastically with lowering temperature, resulting in a closer packing around the IO6 octahedra, which remain largely unaffected.

Partial dissociation of nitrogen aggregates in diamond by high temperature-high pressure treatments

1978 ◽  
Vol 361 (1704) ◽  
pp. 109-127 ◽  
Keyword(s):  
General Relation ◽  
Infrared Region ◽  
Optical Measurements ◽  
Type I ◽  
Paramagnetic Resonance ◽  
High Concentrations ◽  
Partial Dissociation ◽  
Almost All ◽  
Electron Paramagnetic

Type I (a) diamonds contain high concentrations of nitrogen, almost all of which is in an aggregated form. The two main aggregates are recognized by characteristic absorption features in the infrared region of the spectrum. These are called A and B features; usually a peak designated B' is also present. When such diamonds were heated at 1960 °C and above under a stabilizing pressure of 85kbar (8.5 GPa) the nitrogen aggregates partially dissociated, producing single substitutional atoms which were identified by electron paramagnetic resonance (e.p.r.) measurements. Experiments with selected diamonds, showing wide variations in their characteristic infrared absorption, determined the relative stability of the A and B centres. Optical measurements led to the determination of a general relation between the strengths of the A, B and B' features. The experimental observations suggest a scheme for the occurrence of type I (a) diamonds containing nitrogen atoms which have aggregated into A centres; type I (b) diamonds can also be included in this scheme.

Crystal structure of modulated martensite and crystallographic correlations between martensite variants of Ni50Mn38Sn12alloy

2016 ◽  
Vol 49 (4) ◽  
pp. 1276-1283 ◽  
Author(s):  
Chunqing Lin ◽  
Haile Yan ◽  
Yudong Zhang ◽  
Claude Esling ◽  
Xiang Zhao ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electron Backscatter Diffraction ◽  
Type I ◽  
Type Ii ◽  
Plate Interface ◽  
Modulated Structure ◽  
Austenite Grain ◽  
Twinning Plane ◽  
Backscatter Diffraction ◽  
Comprehensive Study

A comprehensive study on the crystal structure, the microstructure and the crystallographic features of the martensite in an Ni50Mn38Sn12alloy has been conducted in the present work. The results show that the martensite possesses a 4O modulated structure. The martensite is organized into broad plates in the original austenite grain. The plates contain irregularly shaped colonies with two characteristic microstructural patterns: a classical lamellar pattern and a herringbone pattern. Crystallographic analyses by scanning electron microscopy/electron backscatter diffraction demonstrate that in each colony there are four orientation variants (A, B, C and D) and they form three types of twins (type I, type II and compound twin). The interfaces between corresponding variants are coincident with their twinning planeK1. The interface planes of the compound twin pairs A&D and B&C can have one or two different orientations, which leads to the two microstructural patterns. The corresponding variants in neighboring colonies within one broad plate (intra-plate colonies) possess close orientations, but the type I and the type II twin relationships are interchanged. The variants in neighboring colonies situated in adjacent plates (inter-plate colonies) are type I or type II twin related but with some angular deviations. The plate interface is defined by the {221} plane of the variant pair with largest thickness. The results of the present work provide comprehensive microstructural and crystallographic information on modulated martensite in NiMnSn alloys that is useful for the understanding of their specific functionalities and helpful for further investigation on property optimization of these materials.

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