Inorganic Chemistry, Vol.58, No.15, 10201-10208, 2019
KCu7P3: A Two-Dimensional Noncentrosymmetric Metallic Pnictide
We report a 2D material, KCu7P3, with a noncentrosymmetric structure (trigonal space group P31m, a = 6.9637(2) angstrom, c = 24.1338 (10) angstrom), which forms both from a molten potassium polyphosphide flux and from the elements. This phase consists of infinite [Cu7P3](-) layers with hexagonal P sheets separated by K+ ions. The structure of the layers is unique but related to both Cu3P and the CaCu4P2 structure-types. Single-crystal refinement reveals extensive disorder within the Cu3P-like slabs. KCu7P3 is paramagnetic and exhibits a room temperature resistivity of similar to 335 mu Omega cm with a metal-like temperature dependence. The metallic character is supported by density functional theory electronic structure calculations. Hall and Seebeck effect measurements yield p-type behavior with a hole mobility of similar to 15 cm(2) V-1 s(-1) at 300 K and a carrier concentration on the order of 10(21) cm(-3). KCu7P3 is chemically stable in ambient conditions, as well as in aqueous neutral and acidic solutions.