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Ba2+ Cations (ba2+ + cation)
Selected AbstractsBa5Cl4(H2O)8(VPO5)8: a novel three-dimensional framework solidACTA CRYSTALLOGRAPHICA SECTION C, Issue 3 2010Ai-Yun Zhang The novel hydrothermally synthesized title compound, pentabarium tetrachloride octahydrate octakis(oxovanadium phosphate), Ba5Cl4(H2O)8(VPO5)8, crystallizes in the orthorhombic space group Cmca with a unit cell containing four formula units. Two Ba2+ cations, two Cl, anions and the O atoms of four water molecules are situated on the (100) mirror plane, while the third independent Ba2+ cation is on the intersection of the (100) plane and the twofold axis parallel to a. Two phosphate P atoms are on twofold axes, while the remaining independent P atom and both V atoms are in general positions. The structure is characterized by two kinds of layers, namely anionic oxovanadium phosphate (VPO5), composed of corner-sharing VO5 square pyramids and PO4 tetrahedra, and cationic barium chloride hydrate clusters, Ba5Cl4(H2O)8, composed of three Ba2+ cations linked by bridging chloride anions. The layers are connected by Ba,O bonds to generate a three-dimensional structure. [source] Flux growth and structure of two compounds with the EuIn2P2 structure type, AIn2P2 (A = Ca and Sr), and a new structure type, BaIn2P2ACTA CRYSTALLOGRAPHICA SECTION C, Issue 10 2009Japheth F. Rauscher Single crystals of the new Zintl phases AIn2P2 [A = Ca (calcium indium phosphide), Sr (strontium indium phosphide) and Ba (barium indium phosphide)] have been synthesized from a reactive indium flux. CaIn2P2 and SrIn2P2 are isostructural with EuIn2P2 and crystallize in the space group P63/mmc. The alkaline earth cations A are located at a site with m symmetry; In and P are located at sites with 3m symmetry. The structure type consists of layers of A2+ cations separated by [In2P2]2, anions that contain [In2P6] eclipsed ethane-like units that are further connected by shared P atoms. This yields a double layer of six-membered rings in which the In,In bonds are parallel to the c axis and to one another. BaIn2P2 crystallizes in a new structure type in the space group P21/m with Z = 4, with all atoms residing on sites of mirror symmetry. The structure contains layers of Ba2+ cations separated by [In2P2]2, layers of staggered [In2P6] units that form a mixture of four-, five- and six-membered rings. As a consequence of this more complicated layered structure, both the steric and electronic requirements of the large Ba2+ cation are met. [source] Structures of 6H perovskites Ba3CaSb2O9 and Ba3SrSb2O9 determined by synchrotron X-ray diffraction, neutron powder diffraction and ab initio calculationsACTA CRYSTALLOGRAPHICA SECTION B, Issue 2 2008Budwy Rowda The structures of the 6H perovskites Ba3B2+Sb5+2O9, B = Ca and Sr, have been solved and refined using synchrotron X-ray and neutron powder diffraction data. Ba3CaSb2O9 and Ba3SrSb2O9 have monoclinic C2/c and triclinic space-group symmetries, respectively, while Ba3MgSb2O9 has ideal hexagonal P63/mmc space-group symmetry. The symmetry-lowering distortions are a consequence of internal `chemical pressure' owing to the increasing effective ionic radius of the alkaline-earth cation in the perovskite B site from Mg2+ (0.72,Å) to Ca2+ (1.00,Å) to Sr2+ (1.18,Å). Increasing the effective ionic radius further to Ba2+ (1.35,Å) leads to decomposition at room temperature. The driving force behind the transition from P63/mmc to C2/c is the need to alleviate underbonding of Ba2+ cations in the perovskite A site via octahedral rotations, while the transition from C2/c to is driven by the need to regularize the shape of the Sb2O9 face-sharing octahedral dimers. Ab initio geometry-optimization calculations were used to find a triclinic starting model for Ba3SrSb2O9. [source] Ba5Cl4(H2O)8(VPO5)8: a novel three-dimensional framework solidACTA CRYSTALLOGRAPHICA SECTION C, Issue 3 2010Ai-Yun Zhang The novel hydrothermally synthesized title compound, pentabarium tetrachloride octahydrate octakis(oxovanadium phosphate), Ba5Cl4(H2O)8(VPO5)8, crystallizes in the orthorhombic space group Cmca with a unit cell containing four formula units. Two Ba2+ cations, two Cl, anions and the O atoms of four water molecules are situated on the (100) mirror plane, while the third independent Ba2+ cation is on the intersection of the (100) plane and the twofold axis parallel to a. Two phosphate P atoms are on twofold axes, while the remaining independent P atom and both V atoms are in general positions. The structure is characterized by two kinds of layers, namely anionic oxovanadium phosphate (VPO5), composed of corner-sharing VO5 square pyramids and PO4 tetrahedra, and cationic barium chloride hydrate clusters, Ba5Cl4(H2O)8, composed of three Ba2+ cations linked by bridging chloride anions. The layers are connected by Ba,O bonds to generate a three-dimensional structure. [source] Flux growth and structure of two compounds with the EuIn2P2 structure type, AIn2P2 (A = Ca and Sr), and a new structure type, BaIn2P2ACTA CRYSTALLOGRAPHICA SECTION C, Issue 10 2009Japheth F. Rauscher Single crystals of the new Zintl phases AIn2P2 [A = Ca (calcium indium phosphide), Sr (strontium indium phosphide) and Ba (barium indium phosphide)] have been synthesized from a reactive indium flux. CaIn2P2 and SrIn2P2 are isostructural with EuIn2P2 and crystallize in the space group P63/mmc. The alkaline earth cations A are located at a site with m symmetry; In and P are located at sites with 3m symmetry. The structure type consists of layers of A2+ cations separated by [In2P2]2, anions that contain [In2P6] eclipsed ethane-like units that are further connected by shared P atoms. This yields a double layer of six-membered rings in which the In,In bonds are parallel to the c axis and to one another. BaIn2P2 crystallizes in a new structure type in the space group P21/m with Z = 4, with all atoms residing on sites of mirror symmetry. The structure contains layers of Ba2+ cations separated by [In2P2]2, layers of staggered [In2P6] units that form a mixture of four-, five- and six-membered rings. As a consequence of this more complicated layered structure, both the steric and electronic requirements of the large Ba2+ cation are met. [source] A hexagonal 2a,c superstructure of Ba7F12Cl2ACTA CRYSTALLOGRAPHICA SECTION C, Issue 6 2006Anita Bernsteiner Hydrothermal synthesis yielded crystals of heptabarium dodecafluoride dichloride, Ba7F12Cl2, displaying a new 2a,c hexagonal superstructure with P symmetry. The superstructure results from the disorder of Ba2+ cations over two adjacent tricapped trigonal prismatic sites located in channels parallel to the c axis. [source] | ||||||||||