|
|||||
|
|
3D [Ag-Mg] polyanionic frameworks in the La4Ag10Mg3 and La4Ag10.3Mg12 new ternary compounds |
|
| Authors: | Pavlo Solokha Serena De Negri Bernhard Eck Adriana Saccone |
| Institution: | a Department of Chemistry and Industrial Chemistry, University of Genoa, Str. Dodecaneso 31, I-16146 Genova, Italy b Department of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla and Mefodiya str. 6, 79005 Lviv, Ukraine c Institute of Chemistry and Environment Protection, Jan Dlugosz University, al. Armii Krajowej 13/15, 42200 Czestochowa, Poland d Institut für Anorganische Chemie, RWTH Aachen University, 52056 Aachen, Germany |
| Abstract: | The crystal structures of two new ternary phases, La4Ag10Mg3 and La4Ag10.3Mg12, were refined from X-ray single crystal diffraction data. La4Ag10Mg3 crystallizes in the Ca4Au10In3 structure type, an ordered variant of the binary Zr7Ni10 compound: orthorhombic, Cmce, oS68, a=14.173(5), b=10.266(3), c=10.354(3) Å, Z=4, wR2=0.0826, 676 F2 values, 50 variables. La4Ag10.3Mg12 represents a new structure type: orthorhombic, Cmmm, oS116-10.32, a=9.6130(3), b=24.9663(8), c=9.6333(2) Å, Z=4, wR2=0.0403, 1185 F2 values, 101 variables. The structural analysis of both compounds, highlighting a significant contraction of the Ag-Mg distances, suggests the existence of three-dimensional Ag-Mg] networks hosting La atoms. LMTO calculations applied to La4Ag10Mg3 indicate that the strongest bonds occur for Ag-Ag and Ag-Mg interactions, and confirm the presence of a 3D∞Ag10Mg3]δ− polyanionic framework balanced by positively charged La atoms. |
| Keywords: | 3D-frameworks Intermetallics Crystal structure Chemical bonding |
| 本文献已被 ScienceDirect 等数据库收录！ | |