Packing schemes of cavities in selected clathrasils and zeolites and the analogous packings of atoms in crystal structures
-
C.P. Hem
,
Emil Makovicky
Abstract
Sizes of cavities and their packing schemes in selected zeolites and clathrasils were studied by means of least squares fitting of circumscribed spheres to them. Resulting packing of spheres of different diameters was analyzed by the coordinates of their centers, their volumes and sphericity, and interpreted by comparison with analogous packings of atoms in inorganic compounds and alloys. The topology is described qualitatively as “negative” structures formed by the cavities.
Melanophlogite and dodecasils 3C and 1H are all clathrasils with isolated cavities. They all have pentagonal dodecahedral [512] cages, associated with other cavity types. The packing of cavities in melanophlogite is analogous to the packing of atoms in the structure of Cr3Si, where the Cr atoms form icosahedra around the Si sites. Dodecasil 3C has a cubic arrangement of [512] cavities, which is described as ABC stacking of kagome nets and its cavity packing is an analog to the packing scheme of atoms in the cubic Laves phase MgCu2. Dodecasil 1H has an arrangement of [512] cavities in an AA stacking of kagome nets and is analogous to the alloy structure type CaZn5. Edingtonite and natrolite are built from two types of cavities, tetragonal scalenohedra and [86] cavities. The [86] cavities have different shape and packing in the two structures. In paulingite, the largest cavity, a large rhombicuboctahedron [4126886] with a diameter of 11.02 Å is in a body centered configuration. It is interspaced by six other types of cavities with diameters from 5.10 to 8.20 Å, arranged in a complex pattern. In this structure, there are three non-intersecting channel systems. Their cavity arrangements mimic sodalite and a modified ReO3 structure. The cubic structure of sodalite has only one type of cavity, a truncated octahedron [4668] with a diameter of 6.41 Å, arranged in a body-centered packing analogous to α-Fe. Chabasite has a rhombohedral packing of elongate cavities [4126286], whereas Linde Type A has [4668] and [4126886] cavities in a CsCl-type arrangement. The cavity representation used here gives a clear picture of cavities and interconnections even for complicated cases.
© 2015 by Walter de Gruyter Berlin/Boston
Articles in the same Issue
- Ti-Al zoning of experimentally grown titanite in the system CaO-Al2O3-TiO2-SiO2-NaCl-H2O-(F): Evidence for small-scale fluid heterogeneity
- A new method for quantitative petrography based on image processing of chemical element maps: Part I. Mineral mapping applied to compacted bentonites
- A new method for quantitative petrography based on image processing of chemical element maps: Part II. Semi-quantitative porosity maps superimposed on mineral maps
- Enhancement of solid-state reaction rates by non-hydrostatic stress effects on polycrystalline diffusion kinetics
- (H3O)Fe(SO4)2 formed by dehydrating rhomboclase and its potential existence on Mars
- Crystal chemistry and low-temperature behavior of datolite: A single-crystal X-ray diffraction study
- Density and seismic velocities of chromitite body in oceanic mantle peridotite
- Packing schemes of cavities in selected clathrasils and zeolites and the analogous packings of atoms in crystal structures
- Temperature dependence of IR absorption of OH species in clinopyroxene
- Thermal behavior of vibrational phonons and hydroxyls of muscovite in dehydroxylation: In situ high-temperature infrared spectroscopic investigations
- Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions
- On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]: A single-crystal neutron diffraction study at 300 and 20 K
- High-pressure melting of wüstite
- Primary Nb-Ta minerals in the Szklary pegmatite, Poland: New insights into controls of crystal chemistry and crystallization sequences
- Evolution of the interlayer space of hydrated montmorillonite as a function of temperature
- Morphology of pyrite in particulate matter from shallow submarine hydrothermal vents
- Influence of the fluid composition on diamond dissolution forms in carbonate melts
- Far infrared spectroscopy of carbonate minerals
- Assessment of the diamond-trap method for studying high-pressure fluids and melts and an improved freezing stage design for laser ablation ICP-MS analysis
- Françoisite-(Ce), a new mineral species from La Creusaz uranium deposit (Valais, Switzerland) and from Radium Ridge (Flinders Ranges, South Australia): Description and genesis
- Crystal chemistry and origin of grandidierite, ominelite, boralsilite, and werdingite from the Bory Granulite Massif, Czech Republic
- Lead-tellurium oxysalts from Otto Mountain near Baker, California: III. Thorneite, Pb6(Te26+O10)(CO3)Cl2(H2O), the first mineral with edge-sharing octahedral tellurate dimers
- Lead-tellurium oxysalts from Otto Mountain near Baker, California: IV. Markcooperite, Pb(UO2)Te6+O6, the first natural uranyl tellurate
- Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. Timroseite, Pb2Cu52+(Te6+O6)2(OH)2, and paratimroseite, Pb2Cu42+(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets
- Lead-tellurium oxysalts from Otto Mountain near Baker, California: VI. Telluroperite, Pb3Te4+O4Cl2, the Te analog of perite and nadorite
- The determination of sulfate and sulfide species in hydrous silicate glasses using Raman spectroscopy
- The structure of crystals, glasses, and melts along the CaO-Al2O3 join: Results from Raman, Al L- and K-edge X-ray absorption, and 27Al NMR spectroscopy
- Ordering of iron vacancies in monoclinic jarosites
Articles in the same Issue
- Ti-Al zoning of experimentally grown titanite in the system CaO-Al2O3-TiO2-SiO2-NaCl-H2O-(F): Evidence for small-scale fluid heterogeneity
- A new method for quantitative petrography based on image processing of chemical element maps: Part I. Mineral mapping applied to compacted bentonites
- A new method for quantitative petrography based on image processing of chemical element maps: Part II. Semi-quantitative porosity maps superimposed on mineral maps
- Enhancement of solid-state reaction rates by non-hydrostatic stress effects on polycrystalline diffusion kinetics
- (H3O)Fe(SO4)2 formed by dehydrating rhomboclase and its potential existence on Mars
- Crystal chemistry and low-temperature behavior of datolite: A single-crystal X-ray diffraction study
- Density and seismic velocities of chromitite body in oceanic mantle peridotite
- Packing schemes of cavities in selected clathrasils and zeolites and the analogous packings of atoms in crystal structures
- Temperature dependence of IR absorption of OH species in clinopyroxene
- Thermal behavior of vibrational phonons and hydroxyls of muscovite in dehydroxylation: In situ high-temperature infrared spectroscopic investigations
- Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions
- On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]: A single-crystal neutron diffraction study at 300 and 20 K
- High-pressure melting of wüstite
- Primary Nb-Ta minerals in the Szklary pegmatite, Poland: New insights into controls of crystal chemistry and crystallization sequences
- Evolution of the interlayer space of hydrated montmorillonite as a function of temperature
- Morphology of pyrite in particulate matter from shallow submarine hydrothermal vents
- Influence of the fluid composition on diamond dissolution forms in carbonate melts
- Far infrared spectroscopy of carbonate minerals
- Assessment of the diamond-trap method for studying high-pressure fluids and melts and an improved freezing stage design for laser ablation ICP-MS analysis
- Françoisite-(Ce), a new mineral species from La Creusaz uranium deposit (Valais, Switzerland) and from Radium Ridge (Flinders Ranges, South Australia): Description and genesis
- Crystal chemistry and origin of grandidierite, ominelite, boralsilite, and werdingite from the Bory Granulite Massif, Czech Republic
- Lead-tellurium oxysalts from Otto Mountain near Baker, California: III. Thorneite, Pb6(Te26+O10)(CO3)Cl2(H2O), the first mineral with edge-sharing octahedral tellurate dimers
- Lead-tellurium oxysalts from Otto Mountain near Baker, California: IV. Markcooperite, Pb(UO2)Te6+O6, the first natural uranyl tellurate
- Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. Timroseite, Pb2Cu52+(Te6+O6)2(OH)2, and paratimroseite, Pb2Cu42+(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets
- Lead-tellurium oxysalts from Otto Mountain near Baker, California: VI. Telluroperite, Pb3Te4+O4Cl2, the Te analog of perite and nadorite
- The determination of sulfate and sulfide species in hydrous silicate glasses using Raman spectroscopy
- The structure of crystals, glasses, and melts along the CaO-Al2O3 join: Results from Raman, Al L- and K-edge X-ray absorption, and 27Al NMR spectroscopy
- Ordering of iron vacancies in monoclinic jarosites
