Caesium calciumcyclo-triphosphate, CsCaP3O9

Zatovsky, Іgor V.; Strutynska, Nataliya Yu.; Baumer, V. N.; Slobodyanik, Nikolay S.; Шишкин, Олег В.

doi:10.1107/s160053680604832x

Cited by 4 publications

(2 citation statements)

References 8 publications

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“…The peaks in the lower frequency region 400-650 cm -1 were attributed to δ (PO). Moreover, the existence of cyclic anion [P 3 O 9 ] 3-in the structure of CsCaP 3 O 9 was proved by X-ray single crystal diffraction data [20].…”

Section: Resultsmentioning

confidence: 98%

Synthesis and characterization of phosphates in the pseudo‐ternary melted systems Cs₂O‐P₂O₅‐M^IIO (M^II – alkaline earth)

Zatovsky¹,

Strutynska²,

Slobodyanik³

et al. 2008

Cryst. Res. Technol.

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The crystallization of alkali-earth phosphates in the melts of Cs 2 O-P 2 O 5 -M II O (M II -Ca, Sr, Ba) pseudoternary systems have been investigated at various Cs/P molar ratios and at fixed value of M II /P equal to 0.15. Type of the phosphate which crystallizes in melts depends on the Cs/P initial ratio. Crystallization fields of CsM 2-anionic sublattice, which is built up from [CaO 6 ] octahedra and [Р 2 О 7 ] bitetrahedra, interlinked via the common oxygen vertices, gives rise to formation of hexagonal tunnels along crystallographic direction b, where caesium atoms are located. One of the most remarkable features of the structure is specific positional disorder of the diphosphate group, which is connected with the existence of two equiprobable half-occupied sites of the bridging oxygen.

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Section: Resultsmentioning

confidence: 98%

Synthesis and characterization of phosphates in the pseudo‐ternary melted systems Cs₂O‐P₂O₅‐M^IIO (M^II – alkaline earth)

Zatovsky¹,

Strutynska²,

Slobodyanik³

et al. 2008

Cryst. Res. Technol.

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“…However, some structural similarities exist between the new trisilicate and synthetic cyclo-triphosphates CsCdP 3 O 9 (Averbuch-Pouchot & Durif 1977) and the isotypic CsCaP 3 O 9 (Zatovsky et al 2006). The CsCdP 3 O 9 structure type (orthorhombic, space group Pmcn) is based on CdO 6 octahedra, which are linked together via corner-sharing to (P 3 O 9 ) 3anions.…”

Section: Comparison With Related Structuresmentioning

confidence: 96%

The Crystal Structures of Three New Complex Silicates of Scandium

Wierzbicka‐Wieczorek

Kolitsch

Тиллманнс

2010

The Canadian Mineralogist

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Three new scandium silicates with framework structures made of octahedra and tetrahedra, KSrScSi 2 O 7 , NaBaScSi 2 O 7 and RbBaScSi 3 O 9 , were obtained through a high-temperature flux-growth technique. Their crystal structures have been determined from single-crystal intensity data (MoKa radiation, CCD area detector, 293 K; R(F) = 3.30, 1.82, 2.00%, respectively). The disilicate KSrScSi 2 O 7 is monoclinic, P2 1 /n, with a 9.446(2), b 5.478(1), c 12.537(3) Å, b 104.39(3)°, V 628.4(2) Å 3 , Z = 4. The disilicate NaBaScSi 2 O 7 forms monoclinic crystals with space-group symmetry P2 1 /m, with a 6.845(1), b 5.626(1), c 8.819(2) Å, b 109.33(3)°, V 320.47(10) Å 3 , Z = 2. The cyclosilicate RbBaScSi 3 O 9 crystallizes as pseudohexagonal triplets; it is also monoclinic, P2 1 /n, with a 6.957(1), b 10.199(2), c 11.881(2) Å, b 90.07(3)°, V 843.0(2) Å 3 , Z = 4. The topologies of KSrScSi 2 O 7 and NaBaScSi 2 O 7 show clear similarities, corresponding to isolated Si 2 O 7 groups, bound to octahedrally coordinated Sc 3+ . The pseudohexagonal arrangement in RbBaScSi 3 O 9 is based on isolated ScO 6 octahedra, each of which is corner-linked to Si 3 O 9 rings. In all three compounds, the alkali and alkaline-earth atoms occupy voids in the resulting three-dimensional frameworks. Results of a Raman spectroscopic study of the two disilicates and of five related novel disilicates are also briefly presented, with a focus on the behavior of the Si 2 O 7 group. SOMMairENous avons synthétisé trois nouveaux tectosilicates de scandium, KSrScSi 2 O 7 , NaBaScSi 2 O 7 et RbBaScSi 3 O 9 , ayant des structures construites d'octaèdres et de tétraèdres, en utilisant un fondant à température élevée. Leurs structures cristallines ont été établies par diffraction X sur monocristal [rayonnement MoKa, détecteur à aire CCD, 293 K; R(F) = 3.30, 1.82, 2.00%, respectivement]. Le disilicate KSrScSi 2 O 7 est monoclinique, P2 1 /n, avec a 9.446(2), b 5.478(1), c 12.537(3) Å, b 104.39(3)°, V 628.4(2) Å 3 , Z = 4. Le disilicate NaBaScSi 2 O 7 se présente en cristaux monocliniques ayant une symétrie P2 1 /m, avec a 6.845(1), b 5.626(1), c 8.819(2) Å, b 109.33(3)°, V 320.47(10) Å 3 , Z = 2. Le cyclosilicate RbBaScSi 3 O 9 crystallise sous forme de triplets pseudohexagonaux; il est aussi monoclinique, P2 1 /n, avec a 6.957(1), b 10.199(2), c 11.881(2) Å, b 90.07(3)°, V 843.0(2) Å 3 , Z = 4. Les topologies de KSrScSi 2 O 7 et de NaBaScSi 2 O 7 montrent des ressemblances évidentes, correspondant à des groupes Si 2 O 7 isolés liés au Sc 3+ à coordinence octaédrique. L'agencement pseudohexagonal dans le composé RbBaScSi 3 O 9 est fondé sur les octaèdres ScO 6 isolés, chacun étant lié par coins pour former des anneaux Si 3 O 9 . Dans les trois composés, les alcalins et les alcalino-terreux sont situés dans des trous dans la charpente tridimensionnelle qui en résulte. Les résultats d'une étude des spectres Raman de deux des silicates ainsi que de cinq nouveaux disilicates sont aussi brièvement passés sous revue, avec emphase sur le comportement du groupe Si 2 O ...

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M^IM^IIP₃O₉ (M^I = Rb, M^II = Cd, Mg, Ca; M^I = Cs, M^II = Pb, Sr; M^I = K, M^II = Mg): Cation Substitution Application in Cyclophosphate Family and Nonlinear Optical Properties

et al. 2018

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By the application of cation substitution, five new members of cyclophosphates, RbCdPO, CsPbPO, CsSrPO, RbMgPO, and RbCaPO, were obtained by a high-temperature melt method and structurally analyzed. The five compounds have identical stoichiometries, and all of them feature a three-dimensional network, which consists of MO (M = Cd, Mg, Ca, Pb, Sr) octahedra and cyclic PO units, while alkali-metal atoms are located within the network. However, RbCdPO and CsPbPO belong to the asymmetric space groups P6̅ c2 and Pna2, respectively, and the other three compounds belong to orthorhombic space group Pnma. Detailed structure comparisons in the M-M-P-O and (MMPO) ( n = 1, 2, 6) systems are discussed. Remarkably, KMgPO as one of the cyclophosphate members exhibits a second harmonic generation (SHG) intensity about 0.2 times that of KHPO (KDP), RbCdPO, and CsPbPO also show SHG responses 0.1 times that of KDP. In addition, the related optical properties are discussed. Furthermore, theoretical calculations and dipole moments were calculated to explain the relation of structure and optical properties.

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Caesium calciumcyclo-triphosphate, CsCaP₃O₉

Abstract: Key indicatorsSingle-crystal X-ray study T = 293 K Mean (P-O) = 0.002 Å R factor = 0.020 wR factor = 0.041 Data-to-parameter ratio = 20.3For details of how these key indicators were automatically derived from the article, see

Cited by 4 publications

References 8 publications

Synthesis and characterization of phosphates in the pseudo‐ternary melted systems Cs₂O‐P₂O₅‐M^IIO (M^II – alkaline earth)

Synthesis and characterization of phosphates in the pseudo‐ternary melted systems Cs₂O‐P₂O₅‐M^IIO (M^II – alkaline earth)

The Crystal Structures of Three New Complex Silicates of Scandium

M^IM^IIP₃O₉ (M^I = Rb, M^II = Cd, Mg, Ca; M^I = Cs, M^II = Pb, Sr; M^I = K, M^II = Mg): Cation Substitution Application in Cyclophosphate Family and Nonlinear Optical Properties

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Caesium calciumcyclo-triphosphate, CsCaP3O9

Abstract: Key indicatorsSingle-crystal X-ray study T = 293 K Mean (P-O) = 0.002 Å R factor = 0.020 wR factor = 0.041 Data-to-parameter ratio = 20.3For details of how these key indicators were automatically derived from the article, see

Cited by 4 publications

References 8 publications

Synthesis and characterization of phosphates in the pseudo‐ternary melted systems Cs2O‐P2O5‐MIIO (MII – alkaline earth)

Synthesis and characterization of phosphates in the pseudo‐ternary melted systems Cs2O‐P2O5‐MIIO (MII – alkaline earth)

The Crystal Structures of Three New Complex Silicates of Scandium

MIMIIP3O9 (MI = Rb, MII = Cd, Mg, Ca; MI = Cs, MII = Pb, Sr; MI = K, MII = Mg): Cation Substitution Application in Cyclophosphate Family and Nonlinear Optical Properties

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Caesium calciumcyclo-triphosphate, CsCaP₃O₉

Synthesis and characterization of phosphates in the pseudo‐ternary melted systems Cs₂O‐P₂O₅‐M^IIO (M^II – alkaline earth)

Synthesis and characterization of phosphates in the pseudo‐ternary melted systems Cs₂O‐P₂O₅‐M^IIO (M^II – alkaline earth)

M^IM^IIP₃O₉ (M^I = Rb, M^II = Cd, Mg, Ca; M^I = Cs, M^II = Pb, Sr; M^I = K, M^II = Mg): Cation Substitution Application in Cyclophosphate Family and Nonlinear Optical Properties