Crystal Chemistry of Lithium Intermetallic Compounds: A Survey

The structural chemistry of lithium intermetallic compounds that are formed in Li-M binary systems where M = Ca, Sr, Ba, Mg, Zn, Cd, and Hg is surveyed. It is for the first time that the crystal structures of intermetallic compounds are classified in terms of polyhedral precursor metal clusters (in the program package ToposPro). The precursor metal clusters of crystal structures are identified using the algorithms of partitioning structural graphs into cluster structures and via the design of the basal 3D network of the structure in the form of a graph whose nodes correspond to the positions of the centers of precursor clusters. Tetrahedral precursor metal clusters M-4 are identified for the crystal structures LiZn3-oC4, LiMg3-hP2, LiCd3-hP2, LiHg3-hP8, (LiMg3)(Li2Mg2)-tI16, Li2Zn2-cF16, Li2Cd2-cF16, Li2Hg2-cP2, Li3Cd-cF4, and Li3Hg-cF16; tetrahedral metal clusters M-4 are found for the framework structures with spacer atoms Sr(Li2Sr2)-tP20, Ca-2(Li-4)-cF24, and Ca-2(Li-4)-cP12; tetrahedral metal clusters M-4 and rings M-6, for framework structures Ba3Li2(Li-10)-hP30 and Ba3Li2(Li4In6)-hP30; icosahedral metal clusters M13 for the framework structure Li(Zn-13)-cF112; bilayer tetrahedral metal clusters 0@M-4@M-22 for the framework structure Li23Sr6-cF116; and deltahedra M-17 and deltahedra M-30, for framework structures Sr4Li14 [Sr(Sr4Li12)] [(Sr-2 (Sr8Li18)]-tI252 and Ba4Li14 [Ba(Ba4Li12)][(Ba-2 (Ba8Li18)]-tI252. The scenario of crystal structure self-assembly from precursor metal clusters S-3(0) in intermetallic compounds is reconstituted as: primary chain S-3(1) microlayer S-3(2) microframework S-3(3).