Thermal parameters for α-quartz: a lattice-dynamical calculation

Thermal parameters for α-quartz: a lattice-dynamical calculation

Structure determination of α-quartz up to 68 x 108 Pa

Structure determination of α-quartz up to 68 x 108 Pa

The electron-density distribution in Cu2O has been critically reexamined to test controversial conclusions from earlier experimental and theoretical studies.

The electron-density distribution in Cu2O has been critically reexamined to test controversial conclusions from earlier experimental and theoretical studies.

The evidence of graphene being formed from pentavalent carbon augments the exceptional properties of this two-dimensional crystal.

The evidence of graphene being formed from pentavalent carbon augments the exceptional properties of this two-dimensional crystal.

The crystal structure of sodium chloride dihydrate

The crystal structure of sodium chloride dihydrate

Quantitative symmetry and quantitative chirality measures were used to etablish correlations between pressure and temperature (PT) and the magnitude of these structural properties for the molecular bu...

Quantitative symmetry and quantitative chirality measures were used to etablish correlations between pressure and temperature (PT) and the magnitude of these structural properties for the molecular bu...

A theoretical DFT investigation of the thermomechanical properties and phase boundary between zinc-blende and rock-salt ZnS polymorphs between 0 and 25 GPa and 0 and 800 K is reported.

A theoretical DFT investigation of the thermomechanical properties and phase boundary between zinc-blende and rock-salt ZnS polymorphs between 0 and 25 GPa and 0 and 800 K is reported.

Twins and polytypes in diamond and lonsdaleite nanoparticles were studied by high-resolution transmission electron microscopy, and the mechanisms of their appearance were proposed. Coherent and incohe...

Twins and polytypes in diamond and lonsdaleite nanoparticles were studied by high-resolution transmission electron microscopy, and the mechanisms of their appearance were proposed. Coherent and incohe...

The hydrogen-bonded structure of sodium chloride trideca­hydrate, NaCl·13(H, D)2O, has been determined at 1.7 GPa and 298 K by single-crystal neutron diffraction. Its hydrogen-bond network is analogou...

The hydrogen-bonded structure of sodium chloride trideca­hydrate, NaCl·13(H, D)2O, has been determined at 1.7 GPa and 298 K by single-crystal neutron diffraction. Its hydrogen-bond network is analogou...

In lacunary apatite structure-type Pb4Na(PO4)3, residual density attributable to the deformed 6s2 electron cloud is found in the vicinity of A2-site Pb2+ on regular A2 triangle normal to c. Systematic...

In lacunary apatite structure-type Pb4Na(PO4)3, residual density attributable to the deformed 6s2 electron cloud is found in the vicinity of A2-site Pb2+ on regular A2 triangle normal to c. Systematic...

The crystal structure of cobalt(II) thiocyanate trihydrate

The crystal structure of cobalt(II) thiocyanate trihydrate

A pseudocubic parameterization of the O4 tetrahedra of quartz and its structural analogue GeO2 at variable temperatures allows direct calculation of tetrahedral tilt angle, the microscopic order param...

A pseudocubic parameterization of the O4 tetrahedra of quartz and its structural analogue GeO2 at variable temperatures allows direct calculation of tetrahedral tilt angle, the microscopic order param...

Atomic displacement parameters, Raman and IR spectra have been calculated by lattice dynamics for aluminium silicates Al2OSiO4 (andalusite and kyanite).

Atomic displacement parameters, Raman and IR spectra have been calculated by lattice dynamics for aluminium silicates Al2OSiO4 (andalusite and kyanite).

Bond-length distributions for ions bonded to oxygen: alkali and alkaline-earth metals

Bond-length distributions for ions bonded to oxygen: alkali and alkaline-earth metals

Using the high-pressure Bridgman method, (Cr, Co, Fe)-co-doped ZnSe optical crystals are grown for the first time, and their physical properties related to the crystal structure are investigated.

Using the high-pressure Bridgman method, (Cr, Co, Fe)-co-doped ZnSe optical crystals are grown for the first time, and their physical properties related to the crystal structure are investigated.

The formation of contact and cyclic cassiterite twins during crystal growth is controlled by oriented nucleation of SnO2 domains on nanosized grains of structurally related cobalt–niobium oxide phases...

The formation of contact and cyclic cassiterite twins during crystal growth is controlled by oriented nucleation of SnO2 domains on nanosized grains of structurally related cobalt–niobium oxide phases...

Re-examination and quantum optimization of kaolin layer stackings allow the construction of a rough enthalpy versus pressure graph with 36 stackings where kaolinite and dickite are low-energy solution...

ALT: Cher Performs 'If I Could Turn Back Time'

Re-examination and quantum optimization of kaolin layer stackings allow the construction of a rough enthalpy versus pressure graph with 36 stackings where kaolinite and dickite are low-energy solution...

A hydroxyl-dominant analogue of gadolinite-(Y) has been discovered in the Heftetjern granitic pegmatite, southern Norway. Data are provided here on the chemical composition, physical properties and cr...

A hydroxyl-dominant analogue of gadolinite-(Y) has been discovered in the Heftetjern granitic pegmatite, southern Norway. Data are provided here on the chemical composition, physical properties and cr...

Ionic radii and optical susceptibilities in the halite-type alkali halides

Ionic radii and optical susceptibilities in the halite-type alkali halides

The structure of levyclaudite-(Sb), a member of the cylindrite mineral group, has been determined from a synthetic sample by single-crystal X-ray diffraction on the basis of the (3 + 2)-dimensional su...

Diffuse scattering and inelastic scattering were probed by X-rays and compared for inorganically formed natural calcite and biogenic calcite from the sea urchin spine. The differences in the mechanica...

Diffuse scattering and inelastic scattering were probed by X-rays and compared for inorganically formed natural calcite and biogenic calcite from the sea urchin spine. The differences in the mechanica...