Institute of Metals Division - The Crystal Structure of TaNi2 (TN)

The phase diagram Ta-Ni has been treated repeatedly; investigations up to 1958 are summed up in Ref. 1. Since then, an equilibrium diagram has been presented by Kornilov and Pylaeva.2 They found the following intermediate phases: Ta2N; (CuA12 type),3 "TaNi" (p phase, Mo8Co7 type), TaNiz, and TaNi3 (Ticus type).5 Of these, the crystal structure of TaNin remained unknown, and no further literature reference was found. According to Kornilov and pylaeva,&apos; TaNil melts peri-tectically at 1420°C. A 5-g alloy of Ta + 66.7 at. pct Ni was prepared by inert-gas arc melting using 99.95 pct Ta rod (NRC-MG) and 99.9 pct Ni shot (Fisher). The weight loss after three melts was <2 mg; a microscopically homogeneous ingot resulted. As shown in Ref. 6, no oxygen or impurity pickup needed to be considered under these conditions. Specimens were annealed for 15 hr at 1350°C, 15 hr at 1205oC, and 15 hr at 875°C with subsequent powdering and stress relief for 10 min at 1350°C, 15 min at 1205oC, and 1 hr at 875oC, respectively. Micrographs and X-ray analysis (114.6 mm Norelco camera, filtered CuK, radiation) showed homogeneous one-phase alloys in the as-cast state and at all three temperatures, all having the same powder pattern except for broad lines in the as-cast state. From this it is concluded that either TaNi, melts congruently or its melting behavior is a transition between the eutectic and peritectic cases. Since it was found that very slight surface contamination on stress relieving can considerably alter the structure of similar phases (e.g.,TaPt3),7 patterns before and after stress relief were also compared; they were identical except for line broadening in the non-stressrelieved condition, and two faint impurity lines in the stress-relieved samples. The powder pattern is presented in Table I. All lines were accounted for by indexing with a tetragonal lattice, 0Yh- I4/mmm , with a, = 3.154 ± 0.001A, co = 7.905 * 0.002i and c/a = 2.506. The atomic positions are: 1000; 1/2, 1/2, 1/2] + 2Ta(a): 000; + 4Ni(e): *(002); z = 0.333 * 0.002 This proves TaNi2 to be a representative of the MoSiz (Cllb) type. The variable parameter was determined by grouping the visually estimated intensi- ties according to their 2 indices, plotting their F values, and varying z for best fit, which was obtained at z = 0.333= 1/3. Since absorption was not considered, only the relative intensities with similar 28 can be expected to agree. The interatomic distances are presented in Table 11; the standard error is *o.o2A, resulting chiefly from the uncertainty in z. These distances indicate a coordination number 10 for both kinds of atoms and show that the pseudohexagonal layers along (110) are rather un-distorted. The mean atomic volume of 13.1A3 is close to the Vegard&apos;s law value of 13.3A3, showing