The structure of lithium dipotassium trimetaphosphate monohydrate

Eanes, E. D.; Ondik, H. M.

doi:10.1107/s0365110x62003369

Cited by 18 publications

(4 citation statements)

References 2 publications

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“…(top) Distribution of cage types (2°, 3° + ) of host structures comprising n -nodal nets that can incorporate H 2 O, according to their frequency observed in previously reported experimental (E) or calculated (C) crystal structures; (bottom) list of their associated compound identifiers (ICSD number and reference citation) …”

Section: Resultsmentioning

confidence: 99%

Topological Analysis of Void Space in Phosphate Frameworks: Assessing Storage Properties for the Environmentally Important Guest Molecules and Ions: CO₂, H₂O, UO₂, PuO₂, U, Pu, Sr²⁺, Cs⁺, CH₄, and H₂

Cramer

Cole

2016

ACS Sustainable Chem. Eng.

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The entrapment of environmentally important materials to enable containment of polluting wastes from industry or energy production, storage of alternative fuels, or water sanitation, is of vital and immediate importance. Many of these materials are small molecules or ions that can be encapsulated via their adsorption into framework structures to create a host-guest complex. This is an ever-growing field of study and, as such, the search for more suitable porous materials for environmental applications is fundamental to progress. However, many industrial areas that require the use of adsorbents are fraught with practical challenges such as high temperatures, rapid gas expansion, radioactivity, or repetitive gas cycling, that the host material must withstand. Inorganic phosphates have a proven history of rigid structures, thermal stability, and are suspected to possess good resistance to radiation over geologic time scales. Furthermore, various experimental studies have established their ability to adsorb small molecules, such as water. In light of this, all known crystal structures of phosphate frameworks with meta-(P 3 O 9 ) or ultra-(P 5 O 14 ) stoichiometries are combined in a datamining survey together with all theoretically possible structures of Ln a P b O c (where a, b, c are any integer, and Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, or Tm) that are statistically likely to form. Topological patterns within these framework structures are used to assess their suitability for hosting a variety of small guest molecules or ions that are important for environmental applications: CO 2 , H 2 O, UO 2 , PuO 2 , U, Pu, Sr 2+ , Cs + , CH 4 and H 2 . A range of viable phosphate-based host-guest complexes are identified from this datamining and pattern-based structural analysis. Therein, distinct topological preferences for hosting such guests are found, and metaphosphate stoichiometries are generally preferred over ultraphosphate configurations.

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Section: Resultsmentioning

confidence: 99%

Topological Analysis of Void Space in Phosphate Frameworks: Assessing Storage Properties for the Environmentally Important Guest Molecules and Ions: CO₂, H₂O, UO₂, PuO₂, U, Pu, Sr²⁺, Cs⁺, CH₄, and H₂

Cramer

Cole

2016

ACS Sustainable Chem. Eng.

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“…Les angles de liaison sont Ρ-OL-Ρ = 130° 8 et OL-Ρ-OL = 101 0 8. Par la valeur des angles P-0L-Ρ et 0L-P-0L et des distances Ρ-OL, ce cycle s'apparente aux cycles de forme «chaise» rencontrés dans les structures de NA^PEOG (ONDIK, 1965) et de L1K2P3O9 · H20 (EANES, 1962) et plus particulièrement aux cycles de symétrie ternaire des composés CdsÇPaO^ · 14H20 (AVERBUCH-POUCHOT, à paraître) et MgTl4(P309)2 (RAKOTOMAHANINA, 1972). Il est …”

Section: Descriptionunclassified

“…Les données cristallographiques du trimétaphosphate de lithium hydraté L13P3O9 · 3H2O ont été signalées par EANES (1961). Nous avons entrepris, dans le cadre général de l'étude cristallographique des métaphosphates et polyphosphates de lithium (voir la publication précédente), la détermination de cette structure.…”

Section: Introductionunclassified

Structure cristalline du trimétaphosphate de lithium hydraté, Li₃P₃O₉ : 3H₂O

MASSE¹,

GRENIER²,

BASSI³

et al. 1973

Zeitschrift Für Kristallographie - Crystalline Materials

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The crystal structure of LÌ3P3O9 · 3H2O is described in space group R 3. Lattice constants are: α = 12.511 Â, c = 5.594Â, Ζ = 3. A threefold axis determines the symmetry of trimetaphosphate ring (PjO») 3-. Lithium atom is tetra coordinated. AuszugEs wird die Kristallstruktur von LigPsO« -3H20 beschrieben. Raumgruppe ist R 3. Die Gitterkonetanten sind α = 12,511 Â, c = 5,594 Â. Die hexagonale Einheitszelle enthält drei Formeleinheiten. Die dreizählige Achse legt die Symmetrie des Trimetaphosphat-Anions (PsOe) 3-fest. Das Li-Atom besitzt eine tetraedrische Koordination. RésuméOn décrit la structure cristalline de LiaPgOg · 3HaO. Le groupe spatial est Ä3. La maille hexagonale: a = 12,511 Â, 0 = 5,594 Â contient trois unités de formule chimique. L'anion (PsO») a~, de symétrie ternaire, possède une forme «chaise». Le voisinage du lithium est tétraédrique.

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“…5 sind die Cl-und H^O-Abstände vom Zentralatom [Li(l) bzw. erheblich größer als im LiCl (2,57 Ä); die Li-H2O-Abstände liegen zwischen denen im LiC104 · 3H20 (2,15 A; WEST, 1934) und denen im L1K2P3O9 · H20 (1,96 Ä; EANES und ONDIK, 1962). Die Li-Cl-Abstände sind z.T.…”

Section: Imunclassified

Die Kristallstruktur des Li₂ZnCl₄∙2H₂O

JACOBI¹,

BREHLER²

1969

Zeitschrift Für Kristallographie - Crystalline Materials

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LiaZnCU • 2 H2O crystallizes from aqueous solutions with unit-cell dimensions a --10.24 A, 6 = 11.98 Ä, c = 6.44 A. The space group is Ρ2ι2χ2ι with Ζ = 4. The structure has been determined by two-dimensional Patterson, Fourier and difference Fourier syntheses and refined three -dimensionally by the method of least squares to a final R = 0.049 for 989 independent reflections. Zn is tetrahedrally coordinated by four CI; the tetrahedra are not directly linked together. The two Li are octahedrally surrounded by four CI und two H2O. These octahedra are rather distorted and connected in a slightly undulated layer arrangement [similarly as e.g. in y-Al(OH)s] thus forming nearly regular tetrahedral holes between the layers. These interstices are occupied by Zn. Because of their structural positions both H2O are supposed to have tetrahedral distributions of charge. AuszugLiaZnCU · 2 H2O kristallisiert in der Raumgruppe Ρ2ι2χ2ι mit den Gitterkonstanten a = 10,24 Ä, 6 = 11,98 A, c = 6,44 Α; Ζ = 4.Die Struktur wurde über zweidimensionale Patterson-, Fourier-und Differenz-Fouriersynthesen bestimmt. Bei der dreidimensionalen Verfeinerung nach der Methode der kleinsten Quadrate wurde für 989 unabhängige Reflexe ein ii-Wert von 0,049 erhalten. Das Zn ist tetraedrisch von vier C1 umgeben; die Tetraeder sind nicht direkt miteinander verknüpft. Die zwei Li haben eine oktaedrische Umgebung von vier C1 und zwei HaO; diese Oktaeder sind erheblich verzerrt und zu leicht gewellten Schichten -ähnlich wie z.B. im y-Al(OH)s -verknüpft. Die Verzerrung der Oktaeder ist derart, daß zwischen den Schichten tetraedrische Lücken gebildet werden, die durch Zn besetzt sind. Für die H2O-Moleküle kann auf Grund ihrer Lage in der Struktur eine tetraedrische Ladungsverteilung angenommen werden. * Die vorliegende Arbeit wurde im wesentlichen noch im Mineralogischen Institut der Universität Marburg fertiggestellt. Brought to you by | New York University Bobst Library Technical Service Authenticated Download Date | 7/12/15 3:16 AM 1 Diese Methode wird seit drei Jahren routinemäßig angewendet; das Verfahren hat sich bei allen untersuchten Substanzen als sehr zeitsparend, einfach und ungewöhnlich genau erwiesen. Brought to you by | New York University Bobst Library Technical Service Authenticated Download Date | 7/12/15 3:16 AM 2 Eine ausführlichere Beschreibung des Meßverfahrens wird an anderer Stelle erfolgen. 3 Die Atomformfaktoren wurden den International tables for x-ray crystallography, Vol. III (1962) entnommen; für /(H2O) wurde /(Ο -) gesetzt.

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The structure of lithium dipotassium trimetaphosphate monohydrate

Cited by 18 publications

References 2 publications

Topological Analysis of Void Space in Phosphate Frameworks: Assessing Storage Properties for the Environmentally Important Guest Molecules and Ions: CO₂, H₂O, UO₂, PuO₂, U, Pu, Sr²⁺, Cs⁺, CH₄, and H₂

Topological Analysis of Void Space in Phosphate Frameworks: Assessing Storage Properties for the Environmentally Important Guest Molecules and Ions: CO₂, H₂O, UO₂, PuO₂, U, Pu, Sr²⁺, Cs⁺, CH₄, and H₂

Structure cristalline du trimétaphosphate de lithium hydraté, Li₃P₃O₉ : 3H₂O

Die Kristallstruktur des Li₂ZnCl₄∙2H₂O

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The structure of lithium dipotassium trimetaphosphate monohydrate

Cited by 18 publications

References 2 publications

Topological Analysis of Void Space in Phosphate Frameworks: Assessing Storage Properties for the Environmentally Important Guest Molecules and Ions: CO2, H2O, UO2, PuO2, U, Pu, Sr2+, Cs+, CH4, and H2

Topological Analysis of Void Space in Phosphate Frameworks: Assessing Storage Properties for the Environmentally Important Guest Molecules and Ions: CO2, H2O, UO2, PuO2, U, Pu, Sr2+, Cs+, CH4, and H2

Structure cristalline du trimétaphosphate de lithium hydraté, Li3P3O9 : 3H2O

Die Kristallstruktur des Li2ZnCl4∙2H2O

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Topological Analysis of Void Space in Phosphate Frameworks: Assessing Storage Properties for the Environmentally Important Guest Molecules and Ions: CO₂, H₂O, UO₂, PuO₂, U, Pu, Sr²⁺, Cs⁺, CH₄, and H₂

Topological Analysis of Void Space in Phosphate Frameworks: Assessing Storage Properties for the Environmentally Important Guest Molecules and Ions: CO₂, H₂O, UO₂, PuO₂, U, Pu, Sr²⁺, Cs⁺, CH₄, and H₂

Structure cristalline du trimétaphosphate de lithium hydraté, Li₃P₃O₉ : 3H₂O

Die Kristallstruktur des Li₂ZnCl₄∙2H₂O