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Crystal structure and thermochemical properties of a first scandium borophosphate, Sc(H2O)2[BP2O8]•H2O

被引：30
|
作者：
Ewald, B [1 ]
Prots, Y [1 ]
Kudla, C [1 ]
Grüner, D [1 ]
Cardoso-Gil, R [1 ]
Kniep, R [1 ]
机构：
[1] Max Planck Inst Chem Phys Fester Stoffe, D-01187 Dresden, Germany
来源：
CHEMISTRY OF MATERIALS | 2006年 / 18卷 / 03期
关键词：
D O I：
10.1021/cm051577o
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Crystalline samples of scandium borophosphate, Sc(H2O)[BP2O8](H2O)-H-circle, were synthesized hydrothermally from acidic suspensions of scandium sesquioxide and boric and phosphoric acid at 4143 K. The chiral crystal structure (space group P6(5)22 (No. 179), a = 957.52(3) pm, c = 1581.45(6) pm, Z = 6) was solved from sin-le-crystal data and contains helical chain anions (1)(infinity)[BP2O83-] of alternating borate and phosphate tetrahedra interconnected by ScO4(H2O)(2) coordination octahedra. On thermal treatment. a reversible release of the hydrate water from the structural channels is observed, and rehydation appears as soon as the compound is exposed to air moisture for at least 1 day. X-ray powder diffractions show that the structure is retained during the de-/rehydration process. Both the crystal structure of the dehydrated phase, Sc(H2O)(2)[BP2O8] (a = 953.5(1) pm, c = 1576.8(2) pm), and that of the rehydrated phase, which is identical to the hydrothermal product, were refined from X-ray powder data with Rietveld methods. When the dehydrated phase is exposed to an ammonia atmosphere, NH3 absorption is observed.
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页码：673 / 679
页数：7
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