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NaZn(H 2 O) 2 [BP 2 O 8 ]⋅H 2 O: A Novel Open‐Framework Borophosphate and its Reversible Dehydration to Microporous Sodium Zincoborophosphate Na[ZnBP 2 O 8 ]⋅H 2 O with CZP Topology
Author(s) -
Boy Insan,
Stowasser Frank,
Schäfer Gerd,
Kniep Rüdiger
Publication year - 2001
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/1521-3765(20010216)7:4<834::aid-chem834>3.0.co;2-a
Subject(s) - microporous material , dehydration , topology (electrical circuits) , sodium , materials science , chemical engineering , chemistry , organic chemistry , mathematics , combinatorics , biochemistry , engineering
Crystals of NaZn(H 2 O) 2 [BP 2 O 8 ]⋅H 2 O were grown under mild hydrothermal conditions at 170 °C. The crystal structure (solved by X‐ray single‐crystal methods: hexagonal, P 6 1 22 (no. 178), a =946.2(2), c =1583.5(1) pm, V =1227.8(4)⋅10 6 pm 3 , Z =6) exhibits a chiral octahedral‐tetrahedral framework related to the CZP topology and contains helical ribbons of corner‐linked borate and phosphate tetrahedra. Investigation of the thermal behavior up to 180 °C shows a (reversible) dehydration process; this leads to the microporous compound Na[ZnBP 2 O 8 ]⋅H 2 O, which has the CZP topology. The crystal structure of Na[ZnBP 2 O 8 ]⋅H 2 O was determined by X‐ray powder diffraction by using a combination of simulated annealing, lattice‐energy minimization, and Rietveld refinement procedures (hexagonal, P 6 1 22 (no. 178), a =954.04(2), c =1477.80(3) pm, V =1164.88(5)⋅10 6 pm 3 , Z =6). The essential structural difference caused by the dehydration concerns the coordination of Zn 2+ changing from octahedral to tetrahedral arrangement.