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Three modifications of BaCu(SeO3)2and the compound SrCu(SeO3)2: Preparation and crystal structure determination

Authors
Journal
Journal of Solid State Chemistry
0022-4596
Publisher
Elsevier
Publication Date
Volume
70
Issue
2
Identifiers
DOI: 10.1016/0022-4596(87)90069-7
Disciplines
  • Earth Science
  • Geography
  • Mathematics

Abstract

Abstract The crystal structures of four hydrothermally synthesized alkaline earth-copper-selenites were determined: BaCu(SeO 3) 2-I [ a = 5.247(1), b = 13.353(2), c = 8.981(1) A ̊ , space group Pnm2 1, Z = 4, R w = 0.024 for 1270 reflections], BaCu(SeO 3) 2-II [ a = 5.256(1), b = 13.231(2), c = 8.933(1) A ̊ , β = 90.19(1)°, space group P2 1 c , Z = 4, R w = 0.046 for 2238 reflections], BaCu(SeO 3) 2-III [ a = 8.031(1), b = 5.185(1), c = 15.823(2) A ̊ , β = 90.83(1)°, space group C2 c , Z = 4, R w = 0.038 for 1866 reflections], and SrCu(SeO 3) 2 [ a = 7.929(1), b = 5.132(1), c = 14.997(2) A ̊ , β = 90.53(1)°, space group C2 c , Z = 4, R w = 0.028 for 1414 reflections; isotypic with BaCu(SeO 3) 2-III]. BaCu(SeO 3) 2-I and -II contain Cu(SeO 3) 2 sheets lying parallel to (100) formed by CuO 4 “squares” and selenite groups. These sheets are topologically different: in BaCu(SeO 3) 2-I they are formed by the connection of Cu 2(SeO 3) and Cu 6(SeO 3) 4 rings while in BaCu(SeO 3) 2-II they are formed by Cu 2(SeO 3) 2 and Cu 6(SeO 3) 6 rings. The Cu(SeO 3) 2 sheets are rugged in BaCu(SeO 3) 2-I and they are slightly waved in BaCu(SeO 3) 2-II. In both compounds they are connected to each other by a fifth CuO bond and by the Ba atoms. In BaCu(SeO 3) 2-III and in its isotypic Sr analog the CuO 4 “squares” and the selenite groups form parallel chains [010], which are connected by the alkaline earth atoms.

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