The crystal structure of (Fe_4Cr_4Ni)_9C_4

(Fe4Cr4Ni)9C4 is a metal carbide mineral formed by combination of Fe, Cr and Ni with C. It occurs in a chromite deposit in the Luobusha ophiolite, Tibet. Based on the determination of its crystal structure, the empirical formula is (Fe4.12Cr3.84Ni0.96)8.92C3.70 and the simplified formula is (Fe4Cr4Ni)4C9. The mineral is hexagonal with a = 1.38392(2) nm, c = 0.44690(9) nm,space group P63 m c, Z=6 and the calculated specific gravity Dx = 7.089 g/cm3. Fe, Cr and Ni occupy different crystallographic sites and their coordination numbers are approximately 12,forming an alternate stacking sequence of flat and puckered layers along the c axis. Some metallic atoms have a defect structure. The interatomic distances of Fe, Cr and Ni are 0.2525-0.2666 nm, and the distances between Fe, Cr, Ni and C are 0.1893-0.2169 nm. The coordination number of carbon is 6. It occurs in interstices of the metallic atoms Fe, Cr and Ni to form trigonal-prismatically coordinated polyhedra. These coordination polyhedra are linked with each other via shared corners or shared edges into a new type of metal carbide structure.