Ca3Ni8In4—An Ordered Noncentrosymmetric Variant of the BaLi4 Type

摘要: Abstract The title compound was synthesized by reacting the elements in an arc-melting apparatus under purified argon and subsequent annealing at 870 K. Ca3Ni8In4 investigated using X-ray diffraction on both powders single crystals: P63mc, a=898.9(1) pm, c=752.2(2) wR2=0.0591, 327 F2 values, 35 parameters. This structure is ordered, noncentrosymmetric variant of BaLi4 type. nickel indium atoms build a complex three-dimensional [Ni8In4] polyanion which calcium fill distorted hexagonal channels. To first approximation formula may be written as (3 Ca2+)6+ [Ni8In4]6−. Within Ni1, Ni3, Ni4 form one-dimensional cluster units extend c direction while Ni2 have only neighbors tetrahedral coordination. Ni–Ni distances range from 241 to 266 pm. are surrounded interconnected atoms. group– subgroup relation centrosymmetric presented. Chemical bonding structural with Lu3Co7.77Sn4, Ca3Au6.61Ga4.39, Co2Al5 briefly discussed.