Structure-driven mixed-site borate-phosphate K5Ta8BP4O34: synthesis, structural, spectroscopic and theoretical study

被引：9

作者：

Babaryk, Artem A. ^{[1
]}

Odynets, Ievgen V. ^{[1
]}

Slobodyanik, Nikolay S. ^{[1
]}

Baumer, Vyacheslav N. ^{[2
]}

Khainakov, Sergei ^{[3
]}

机构：

[1] Taras Shevchenko Natl Univ Kyiv, Dept Inorgan Chem, Fac Chem, UA-01601 Kiev, Ukraine

[2] Natl Acad Sci Ukraine, SSI Inst Single Crystals, UA-61001 Kharkov, Ukraine

[3] Univ Oviedo, Dept Quim Organ & Inorgan, CINN, E-33006 Oviedo, Spain

来源：

CRYSTENGCOMM | 2012年 / 14卷 / 15期

关键词：

CONTINUOUS SYMMETRY MEASURES; BRILLOUIN-ZONE INTEGRATIONS; NIOBIUM PHOSPHATE; TUNNEL STRUCTURE; CRYSTAL-STRUCTURE; SERIES (K3NB6P4O26)N.KNB2PO8; POWDER-DIFFRACTION; TUNGSTEN BRONZES; LARGE FAMILY; GROWTH;

D O I：

10.1039/c2ce25451d

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Tungstate bronze (TB) related borate-phosphate K5Ta8BP4O34 is afforded from boron-enriched potassium-molybdate flux. It was found to crystallize [space group P2/c (no. 13), a = 1384.36(5), b = 640.99(2), c = 2054.75(8) pm, beta = 125.007(2)degrees, V = 1493.44(9) x 106 pm(3)] isotypically with the (K5M2Nb6P5O34)-Nb-IV (M = Ti, Zr) group of compounds. Revealed by X-ray structural analysis, occupational disorder of boron and phosphorus atoms over two crystallographically distinct positions was explained by the decrease of tetrahedral distortions. The calculated electronic structure of title compound was found to be similar to that reported for UV-Vis active niobium phosphate photocatalysts for full water decomposition. Transformation of the parental [Ta8BP4O34] framework at incongruent melting (T = 1618 K) into (MM2M6P3O24)-M-I-M-I'-P-V-type phosphates was detected leading to a subtle structural relationship of phosphates bearing TB building features.

引用

页码：5071 / 5077

页数：7

共 72 条

[1]

Alekseeva O. A., 2001, CRYSTALLOGR REP KRIS, V46, P215

[2]

Alekseeva O. A., 2001, CRYSTALLOGR REP KRIS, V46, P816

[3] Shape maps and polyhedral interconversion paths in transition metal chemistry [J].

Alvarez, S ;

Alemany, P ;

Casanova, D ;

Cirera, J ;

Llunell, M ;

Avnir, D .

COORDINATION CHEMISTRY REVIEWS, 2005, 249 (17-18) :1693-1708

[4] AN INTERPRETATION OF POTENTIAL INTERACTION CONSTANTS IN TERMS OF LOW-LYING EXCITED STATES [J].

BADER, RFW .

MOLECULAR PHYSICS, 1960, 3 (02) :137-151

[5] VIBRATIONALLY INDUCED PERTURBATIONS IN MOLECULAR ELECTRON DISTRIBUTIONS [J].

BADER, RFW .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1962, 40 (06) :1164-&

[6] Colouration of tungsten oxide films: A model for optically active coatings [J].

Bange, K .

SOLAR ENERGY MATERIALS AND SOLAR CELLS, 1999, 58 (01) :1-131

[7] A NOVEL NIOBIUM PHOSPHATE BRONZE WITH A TUNNEL STRUCTURE, K3NB6P4O26, MEMBER N=INFINITY OF THE SERIES (K3NB6P4O26)N.KNB2PO8 [J].

BENABBAS, A ;

BOREL, MM ;

GRANDIN, A ;

LECLAIRE, A ;

RAVEAU, B .

JOURNAL OF SOLID STATE CHEMISTRY, 1990, 84 (02) :365-374

[8] A NIOBIUM PHOSPHATE BRONZE CLOSELY RELATED TO THE TUNGSTEN PHOSPHATE BRONZES FAMILY - NA4NB8P6O35 [J].

BENABBAS, A ;

BOREL, MM ;

GRANDIN, A ;

LECLAIRE, A ;

RAVEAU, B .

JOURNAL OF SOLID STATE CHEMISTRY, 1990, 89 (01) :75-82

[9] THE NIOBIUM PHOSPHATE BRONZE K5-XNB8P5O34, A NEW TUNNEL STRUCTURE, FIRST MEMBER OF THE SERIES (K3NB6P4O26)N.KNB2PO8 [J].

BENABBAS, A ;

BOREL, MM ;

GRANDIN, A ;

LECLAIRE, A ;

RAVEAU, B .

JOURNAL OF SOLID STATE CHEMISTRY, 1990, 87 (02) :360-365

[10] NA2+XNB6P4O26 - A NOVEL NIOBIUM PHOSPHATE BRONZE ISOTYPIC OF THE M = 3 MEMBER OF THE MPTBP FAMILY [J].

BENABBAS, A ;

BOREL, MM ;

GRANDIN, A ;

LECLAIRE, A ;

RAVEAU, B .

JOURNAL OF SOLID STATE CHEMISTRY, 1991, 95 (02) :245-252

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